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1105198-41-1 | (7-ISOPROPYL-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-3-YL)ACET+
CAS No: 1105198-41-1 Catalog No: AG01ARS6 MDL No:MFCD11986597
Product Description
Catalog Number:
AG01ARS6
Chemical Name:
(7-ISOPROPYL-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-3-YL)ACET+
CAS Number:
1105198-41-1
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
MDL Number:
MFCD11986597
IUPAC Name:
2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetic acid
InChI:
InChI=1S/C11H14N2O3S/c1-6(2)8-4-9(14)13-7(3-10(15)16)5-17-11(13)12-8/h4,6-7H,3,5H2,1-2H3,(H,15,16)
InChI Key:
ZIMRRHZATDVWON-UHFFFAOYSA-N
SMILES:
CC(c1nc2SCC(n2c(=O)c1)CC(=O)O)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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