2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide

C17H10Cl3N3O2S — CID 16915123

IUPAC2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl3N3O2S/c18-10-3-1-9(2-4-10)15(24)23-17-22-14(8-26-17)16(25)21-11-5-6-12(19)13(20)7-11/h1-8H,(H,21,25)(H,22,23,24)
InChIKeyDNHNTYBNXWHYDE-UHFFFAOYSA-N
MW426.71 g/mol
LogP5.61
Rot. Bonds4

About 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide

2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16915123) has the molecular formula C17H10Cl3N3O2S and a molecular weight of 426.71 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID16915123
Molecular FormulaC17H10Cl3N3O2S
Molecular Weight426.71 g/mol
Exact Mass424.96
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C17H10Cl3N3O2S/c18-10-3-1-9(2-4-10)15(24)23-17-22-14(8-26-17)16(25)21-11-5-6-12(19)13(20)7-11/h1-8H,(H,21,25)(H,22,23,24)
InChIKeyDNHNTYBNXWHYDE-UHFFFAOYSA-N
XLogP5.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.71
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915145
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 84550439
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948370
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide (CID 16915123) is 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DNHNTYBNXWHYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3N3O2S/c18-10-3-1-9(2-4-10)15(24)23-17-22-14(8-26-17)16(25)21-11-5-6-12(19)13(20)7-11/h1-8H,(H,21,25)(H,22,23,24).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 426.71 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).