N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide

C17H10Cl3N3O2S — CID 11690446

IUPACN-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ncsc1NC(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl3N3O2S/c18-9-6-11(19)13(12(20)7-9)15(24)23-17-14(21-8-26-17)16(25)22-10-4-2-1-3-5-10/h1-8H,(H,22,25)(H,23,24)
InChIKeyOUYKHNHVHUGDCD-UHFFFAOYSA-N
MW426.71 g/mol
LogP5.61
Rot. Bonds4

About N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide

N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 11690446) has the molecular formula C17H10Cl3N3O2S and a molecular weight of 426.71 g/mol. Its IUPAC name is N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID11690446
Molecular FormulaC17H10Cl3N3O2S
Molecular Weight426.71 g/mol
Exact Mass424.96
IUPAC NameN-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1ncsc1NC(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl3N3O2S/c18-9-6-11(19)13(12(20)7-9)15(24)23-17-14(21-8-26-17)16(25)22-10-4-2-1-3-5-10/h1-8H,(H,22,25)(H,23,24)
InChIKeyOUYKHNHVHUGDCD-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

2,4,6-trichloro-N-phenylbenzamide
CID 68933625
2-amino-4,6-dichloro-N-phenylbenzamide
CID 15314627
N-(3-chlorophenyl)-5-(cyclohexylamino)-1,3-thiazole-4-carboxamide
CID 90909832
5-benzamido-1,3-thiazole-4-carboxylic acid
CID 69246207
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
5-anilino-N-(4-chlorophenyl)thiadiazole-4-carboxamide
CID 1499111
1-(3,5-dichloro-2-pyridinyl)-3-phenylurea
CID 27161092
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
2-[(2-chlorobenzoyl)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1002852
6-(3,5-dichloroanilino)-N-phenylpyridine-3-carboxamide
CID 109162127
6-(2,4-dichloroanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355880

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 11690446) is N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1)c1ncsc1NC(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is OUYKHNHVHUGDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3N3O2S/c18-9-6-11(19)13(12(20)7-9)15(24)23-17-14(21-8-26-17)16(25)22-10-4-2-1-3-5-10/h1-8H,(H,22,25)(H,23,24).
What are the key properties of N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-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 N-phenyl-5-[(2,4,6-trichlorobenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11690446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).