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

C19H18ClN3OS — CID 30134315

IUPACN-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sc(N(C)c2ccccc2)nc1C
InChIInChI=1S/C19H18ClN3OS/c1-12-9-10-14(20)11-16(12)22-18(24)17-13(2)21-19(25-17)23(3)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,24)
InChIKeyYVLJQJMCFHMZOW-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.43
Rot. Bonds4

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

N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 30134315) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
PubChem CID30134315
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sc(N(C)c2ccccc2)nc1C
InChIInChI=1S/C19H18ClN3OS/c1-12-9-10-14(20)11-16(12)22-18(24)17-13(2)21-19(25-17)23(3)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,24)
InChIKeyYVLJQJMCFHMZOW-UHFFFAOYSA-N
XLogP5.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
N-(2,3-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134319
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314210
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897941
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
CID 30141824
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30141715

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (CID 30134315) is N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1sc(N(C)c2ccccc2)nc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is YVLJQJMCFHMZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-12-9-10-14(20)11-16(12)22-18(24)17-13(2)21-19(25-17)23(3)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30134315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).