N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

C19H17ClN2O3S — CID 36751297

IUPACN-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)cs2)c1OC
InChIInChI=1S/C19H17ClN2O3S/c1-11-7-8-12(20)9-14(11)21-18(23)15-10-26-19(22-15)13-5-4-6-16(24-2)17(13)25-3/h4-10H,1-3H3,(H,21,23)
InChIKeyKGZHXNJEMJTHJD-UHFFFAOYSA-N
MW388.88 g/mol
LogP5.04
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 36751297) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID36751297
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)cs2)c1OC
InChIInChI=1S/C19H17ClN2O3S/c1-11-7-8-12(20)9-14(11)21-18(23)15-10-26-19(22-15)13-5-4-6-16(24-2)17(13)25-3/h4-10H,1-3H3,(H,21,23)
InChIKeyKGZHXNJEMJTHJD-UHFFFAOYSA-N
XLogP5.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.88
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 24672068
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36771940
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067
N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110650067
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46551536
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
CID 53037033

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 36751297) is N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)cs2)c1OC.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KGZHXNJEMJTHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-11-7-8-12(20)9-14(11)21-18(23)15-10-26-19(22-15)13-5-4-6-16(24-2)17(13)25-3/h4-10H,1-3H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36751297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).