N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide

C19H16ClN3O2S — CID 1468182

IUPACN-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-11-6-8-13(9-7-11)17(24)23-19-21-12(2)16(26-19)18(25)22-15-5-3-4-14(20)10-15/h3-10H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyRFXFJZLFQFKLBQ-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.92
Rot. Bonds4

About N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide

N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 1468182) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID1468182
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-11-6-8-13(9-7-11)17(24)23-19-21-12(2)16(26-19)18(25)22-15-5-3-4-14(20)10-15/h3-10H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyRFXFJZLFQFKLBQ-UHFFFAOYSA-N
XLogP4.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromobenzoyl)amino]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468187
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468179
N-(3-chlorophenyl)-2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468197
N-(4-chlorophenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
CID 1468155
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897465
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
2-[(4-chlorobenzoyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468246
2-[(4-chlorobenzoyl)amino]-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468203
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide (CID 1468182) is N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide is Cc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3cccc(Cl)c3)s2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is RFXFJZLFQFKLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-11-6-8-13(9-7-11)17(24)23-19-21-12(2)16(26-19)18(25)22-15-5-3-4-14(20)10-15/h3-10H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide?
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 385.88 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).