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114199-26-7 | Pyrrolo[2,1-b]thiazole-6,7-dicarboxylic acid, 2,3-dihydro-5-methyl-, 6,7-dimethyl ester
CAS No: 114199-26-7 Catalog No: AG000ASG MDL No:MFCD00174261
Product Description
Catalog Number:
AG000ASG
Chemical Name:
Pyrrolo[2,1-b]thiazole-6,7-dicarboxylic acid, 2,3-dihydro-5-methyl-, 6,7-dimethyl ester
CAS Number:
114199-26-7
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
MDL Number:
MFCD00174261
IUPAC Name:
dimethyl 5-methyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-6,7-dicarboxylate
InChI:
InChI=1S/C11H13NO4S/c1-6-7(10(13)15-2)8(11(14)16-3)9-12(6)4-5-17-9/h4-5H2,1-3H3
InChI Key:
ZPNHXRCUMKUHTP-UHFFFAOYSA-N
SMILES:
COC(=O)c1c2SCCn2c(c1C(=O)OC)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.288g/mol
Monoisotopic Mass:
255.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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