2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid

C17H9Cl3N2O3S — CID 87998510

IUPAC2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)c2ccc(Cl)c(-c3ccc(Cl)cc3)c2Cl)n1
InChIInChI=1S/C17H9Cl3N2O3S/c18-9-3-1-8(2-4-9)13-11(19)6-5-10(14(13)20)15(23)22-17-21-12(7-26-17)16(24)25/h1-7H,(H,24,25)(H,21,22,23)
InChIKeyUWTUYDHLEPUOIZ-UHFFFAOYSA-N
MW427.70 g/mol
LogP5.72
Rot. Bonds4

About 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid

2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 87998510) has the molecular formula C17H9Cl3N2O3S and a molecular weight of 427.70 g/mol. Its IUPAC name is 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID87998510
Molecular FormulaC17H9Cl3N2O3S
Molecular Weight427.70 g/mol
Exact Mass425.94
IUPAC Name2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(NC(=O)c2ccc(Cl)c(-c3ccc(Cl)cc3)c2Cl)n1
InChIInChI=1S/C17H9Cl3N2O3S/c18-9-3-1-8(2-4-9)13-11(19)6-5-10(14(13)20)15(23)22-17-21-12(7-26-17)16(24)25/h1-7H,(H,24,25)(H,21,22,23)
InChIKeyUWTUYDHLEPUOIZ-UHFFFAOYSA-N
XLogP5.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.70
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3,4-trifluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858330
2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858327
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
2-[(2-chlorobenzoyl)amino]-N-hydroxy-1,3-thiazole-4-carboxamide
CID 156904198
2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
CID 82030624
2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80568324
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
CID 47450057
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16948678

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid (CID 87998510) is 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(NC(=O)c2ccc(Cl)c(-c3ccc(Cl)cc3)c2Cl)n1.
What is the InChIKey of 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UWTUYDHLEPUOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3N2O3S/c18-9-3-1-8(2-4-9)13-11(19)6-5-10(14(13)20)15(23)22-17-21-12(7-26-17)16(24)25/h1-7H,(H,24,25)(H,21,22,23).
What are the key properties of 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid?
2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 427.70 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-dichloro-3-(4-chlorophenyl)benzoyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 87998510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).