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

C19H17ClN4O2S2 — CID 16897630

IUPAC2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C19H17ClN4O2S2/c1-11-16(17(25)23-14-5-3-4-6-15(14)27-2)28-19(21-11)24-18(26)22-13-9-7-12(20)8-10-13/h3-10H,1-2H3,(H,23,25)(H2,21,22,24,26)
InChIKeyFVUKZDOSTBJKQL-UHFFFAOYSA-N
MW432.96 g/mol
LogP5.72
Rot. Bonds5

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

2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 16897630) has the molecular formula C19H17ClN4O2S2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID16897630
Molecular FormulaC19H17ClN4O2S2
Molecular Weight432.96 g/mol
Exact Mass432.05
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
SMILESCSc1ccccc1NC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C
InChIInChI=1S/C19H17ClN4O2S2/c1-11-16(17(25)23-14-5-3-4-6-15(14)27-2)28-19(21-11)24-18(26)22-13-9-7-12(20)8-10-13/h3-10H,1-2H3,(H,23,25)(H2,21,22,24,26)
InChIKeyFVUKZDOSTBJKQL-UHFFFAOYSA-N
XLogP5.72
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 16897637
2-[(4-fluorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897753
methyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16897633
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897465
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897620
2-[(4-chlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897658
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897032
2-[(4-chlorobenzoyl)amino]-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468203
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53338422
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 16897605
4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide (CID 16897630) is 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is CSc1ccccc1NC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FVUKZDOSTBJKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S2/c1-11-16(17(25)23-14-5-3-4-6-15(14)27-2)28-19(21-11)24-18(26)22-13-9-7-12(20)8-10-13/h3-10H,1-2H3,(H,23,25)(H2,21,22,24,26).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide?
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 432.96 g/mol, XLogP of 5.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).