N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

C19H16ClN3O4S — CID 84550344

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc(OC)c(Cl)c3)cs2)cc1
InChIInChI=1S/C19H16ClN3O4S/c1-26-13-6-3-11(4-7-13)17(24)23-19-22-15(10-28-19)18(25)21-12-5-8-16(27-2)14(20)9-12/h3-10H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyRGJDOWLHZBFOQI-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.32
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84550344) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84550344
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc(OC)c(Cl)c3)cs2)cc1
InChIInChI=1S/C19H16ClN3O4S/c1-26-13-6-3-11(4-7-13)17(24)23-19-22-15(10-28-19)18(25)21-12-5-8-16(27-2)14(20)9-12/h3-10H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyRGJDOWLHZBFOQI-UHFFFAOYSA-N
XLogP4.32
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 84550439
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 84550584
propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550488
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915286
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405255
N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915276

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 84550344) is N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc(OC)c(Cl)c3)cs2)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is RGJDOWLHZBFOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-26-13-6-3-11(4-7-13)17(24)23-19-22-15(10-28-19)18(25)21-12-5-8-16(27-2)14(20)9-12/h3-10H,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 417.87 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).