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

C17H11Cl2N3O2S — CID 16915105

IUPAC2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2N3O2S/c18-11-3-1-10(2-4-11)15(23)22-17-21-14(9-25-17)16(24)20-13-7-5-12(19)6-8-13/h1-9H,(H,20,24)(H,21,22,23)
InChIKeySIXOQOMTHGJHNM-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.95
Rot. Bonds4

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

2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16915105) has the molecular formula C17H11Cl2N3O2S and a molecular weight of 392.27 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID16915105
Molecular FormulaC17H11Cl2N3O2S
Molecular Weight392.27 g/mol
Exact Mass390.99
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)Nc2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2N3O2S/c18-11-3-1-10(2-4-11)15(23)22-17-21-14(9-25-17)16(24)20-13-7-5-12(19)6-8-13/h1-9H,(H,20,24)(H,21,22,23)
InChIKeySIXOQOMTHGJHNM-UHFFFAOYSA-N
XLogP4.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915145
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079
2-[(4-chlorophenyl)carbamoylamino]-N-(3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948686
2-[(4-chlorobenzoyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915082
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 16915105) is 2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)Nc2ccc(Cl)cc2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SIXOQOMTHGJHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2S/c18-11-3-1-10(2-4-11)15(23)22-17-21-14(9-25-17)16(24)20-13-7-5-12(19)6-8-13/h1-9H,(H,20,24)(H,21,22,23).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 392.27 g/mol, XLogP of 4.95, 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-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).