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1353979-84-6 | 2-Isopropylamino-1-thiazol-2-yl-ethanone
CAS No: 1353979-84-6 Catalog No: AG01FBZ5 MDL No:
Product Description
Catalog Number:
AG01FBZ5
Chemical Name:
2-Isopropylamino-1-thiazol-2-yl-ethanone
CAS Number:
1353979-84-6
Molecular Formula:
C8H12N2OS
Molecular Weight:
184.2587
IUPAC Name:
2-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)ethanone
InChI:
InChI=1S/C8H12N2OS/c1-6(2)10-5-7(11)8-9-3-4-12-8/h3-4,6,10H,5H2,1-2H3
InChI Key:
JLKQSMWVKJCWRT-UHFFFAOYSA-N
SMILES:
CC(NCC(=O)c1nccs1)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.257g/mol
Monoisotopic Mass:
184.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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