N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

C16H17ClN2O3S — CID 56605150

IUPACN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1Cl
InChIInChI=1S/C16H17ClN2O3S/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17/h5-8H,1-4H3,(H,19,21)
InChIKeyWPFJHHFIIUGIOF-UHFFFAOYSA-N
MW352.84 g/mol
LogP4.38
Rot. Bonds5

About N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 56605150) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID56605150
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1Cl
InChIInChI=1S/C16H17ClN2O3S/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17/h5-8H,1-4H3,(H,19,21)
InChIKeyWPFJHHFIIUGIOF-UHFFFAOYSA-N
XLogP4.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride
CID 162071983
1-[3-chloro-4-methoxy-2-(methylamino)phenyl]ethanone
CID 70285532
N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
CID 176998061
4-propan-2-yl-1,3-thiazole-2-carbonyl iodide
CID 89023690
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 80504154
N-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboxamide
CID 134542864
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 103604372
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
CID 47450057
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 56605150) is N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1Cl.
What is the InChIKey of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is WPFJHHFIIUGIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17/h5-8H,1-4H3,(H,19,21).
What are the key properties of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 56605150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).