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

C18H15ClN4O2S2 — CID 16948727

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCSc1cccc(NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H15ClN4O2S2/c1-26-14-4-2-3-13(9-14)20-16(24)15-10-27-18(22-15)23-17(25)21-12-7-5-11(19)6-8-12/h2-10H,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyYAGHSTXTZPTDDK-UHFFFAOYSA-N
MW418.93 g/mol
LogP5.41
Rot. Bonds5

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

2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16948727) has the molecular formula C18H15ClN4O2S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16948727
Molecular FormulaC18H15ClN4O2S2
Molecular Weight418.93 g/mol
Exact Mass418.03
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCSc1cccc(NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H15ClN4O2S2/c1-26-14-4-2-3-13(9-14)20-16(24)15-10-27-18(22-15)23-17(25)21-12-7-5-11(19)6-8-12/h2-10H,1H3,(H,20,24)(H2,21,22,23,25)
InChIKeyYAGHSTXTZPTDDK-UHFFFAOYSA-N
XLogP5.41
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.93
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955322
ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948615
N-(3-bromophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948505

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (CID 16948727) is 2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is CSc1cccc(NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YAGHSTXTZPTDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S2/c1-26-14-4-2-3-13(9-14)20-16(24)15-10-27-18(22-15)23-17(25)21-12-7-5-11(19)6-8-12/h2-10H,1H3,(H,20,24)(H2,21,22,23,25).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorophenyl)carbamoylamino]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 418.93 g/mol, XLogP of 5.41, 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]-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).