5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide

C16H15ClN2O3S — CID 91054593

IUPAC5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(-c2sc(C(N)=O)nc2C2CC2)c1Cl
InChIInChI=1S/C16H15ClN2O3S/c1-7(20)9-5-6-10(22-2)12(17)11(9)14-13(8-3-4-8)19-16(23-14)15(18)21/h5-6,8H,3-4H2,1-2H3,(H2,18,21)
InChIKeyZHXQUOJXJBOGOL-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.65
Rot. Bonds5

About 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide

5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide (PubChem CID 91054593) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide
PubChem CID91054593
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(-c2sc(C(N)=O)nc2C2CC2)c1Cl
InChIInChI=1S/C16H15ClN2O3S/c1-7(20)9-5-6-10(22-2)12(17)11(9)14-13(8-3-4-8)19-16(23-14)15(18)21/h5-6,8H,3-4H2,1-2H3,(H2,18,21)
InChIKeyZHXQUOJXJBOGOL-UHFFFAOYSA-N
XLogP3.65
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 90795701
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone
CID 70285532
2-cyclopropyl-3-methoxy-6-methylpyridine
CID 126627293
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
1-(6-chloro-3-methoxy-2-pyridinyl)ethanone
CID 119004175
4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 19375983
N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 56605150
5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid
CID 154126270
(E)-4-(2,3-dichloro-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 82551153

Frequently Asked Questions

What is the IUPAC name of 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide (CID 91054593) is 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide is COc1ccc(C(C)=O)c(-c2sc(C(N)=O)nc2C2CC2)c1Cl.
What is the InChIKey of 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide?
The InChIKey is ZHXQUOJXJBOGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-7(20)9-5-6-10(22-2)12(17)11(9)14-13(8-3-4-8)19-16(23-14)15(18)21/h5-6,8H,3-4H2,1-2H3,(H2,18,21).
What are the key properties of 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide?
5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide has a molecular weight of 350.83 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 91054593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).