N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

C19H18ClN3O4S — CID 16955474

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Nc3ccc(OC)c(OC)c3)n2)cc1Cl
InChIInChI=1S/C19H18ClN3O4S/c1-25-15-6-4-11(8-13(15)20)21-18(24)14-10-28-19(23-14)22-12-5-7-16(26-2)17(9-12)27-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyHNMBUORMCPVJFY-UHFFFAOYSA-N
MW419.89 g/mol
LogP4.82
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16955474) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16955474
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Nc3ccc(OC)c(OC)c3)n2)cc1Cl
InChIInChI=1S/C19H18ClN3O4S/c1-25-15-6-4-11(8-13(15)20)21-18(24)14-10-28-19(23-14)22-12-5-7-16(26-2)17(9-12)27-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyHNMBUORMCPVJFY-UHFFFAOYSA-N
XLogP4.82
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955416
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405255
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
N-(3-chloro-4-methoxyphenyl)-6-methoxypyridazine-3-carboxamide
CID 90509434
N-(3-chloro-4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846766
2-(3,4-dimethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 16955399

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16955474) is N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(Nc3ccc(OC)c(OC)c3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is HNMBUORMCPVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-25-15-6-4-11(8-13(15)20)21-18(24)14-10-28-19(23-14)22-12-5-7-16(26-2)17(9-12)27-3/h4-10H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 419.89 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).