N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide

C19H18ClN3O2S — CID 53152974

IUPACN-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)cc1Cl
InChIInChI=1S/C19H18ClN3O2S/c1-11-4-6-13(7-5-11)23-19-21-12(2)17(26-19)18(24)22-14-8-9-16(25-3)15(20)10-14/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyNEGPHLCNEPRCDK-UHFFFAOYSA-N
MW387.89 g/mol
LogP5.42
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 53152974) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide
PubChem CID53152974
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)cc1Cl
InChIInChI=1S/C19H18ClN3O2S/c1-11-4-6-13(7-5-11)23-19-21-12(2)17(26-19)18(24)22-14-8-9-16(25-3)15(20)10-14/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyNEGPHLCNEPRCDK-UHFFFAOYSA-N
XLogP5.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.89
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152928
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
2-[(4-chlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897658
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897357
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide (CID 53152974) is N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is NEGPHLCNEPRCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-11-4-6-13(7-5-11)23-19-21-12(2)17(26-19)18(24)22-14-8-9-16(25-3)15(20)10-14/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).