2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid

C19H14ClN3O5S — CID 84550439

IUPAC2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc(Cl)c(C(=O)O)c3)cs2)cc1
InChIInChI=1S/C19H14ClN3O5S/c1-28-12-5-2-10(3-6-12)16(24)23-19-22-15(9-29-19)17(25)21-11-4-7-14(20)13(8-11)18(26)27/h2-9H,1H3,(H,21,25)(H,26,27)(H,22,23,24)
InChIKeySEDRNLSFBLDJNL-UHFFFAOYSA-N
MW431.86 g/mol
LogP4.01
Rot. Bonds6

About 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid

2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid (PubChem CID 84550439) has the molecular formula C19H14ClN3O5S and a molecular weight of 431.86 g/mol. Its IUPAC name is 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
PubChem CID84550439
Molecular FormulaC19H14ClN3O5S
Molecular Weight431.86 g/mol
Exact Mass431.03
IUPAC Name2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc(Cl)c(C(=O)O)c3)cs2)cc1
InChIInChI=1S/C19H14ClN3O5S/c1-28-12-5-2-10(3-6-12)16(24)23-19-22-15(9-29-19)17(25)21-11-4-7-14(20)13(8-11)18(26)27/h2-9H,1H3,(H,21,25)(H,26,27)(H,22,23,24)
InChIKeySEDRNLSFBLDJNL-UHFFFAOYSA-N
XLogP4.01
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550344
2-[(4-chlorobenzoyl)amino]-N-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915123
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 84550584
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
propan-2-yl 3-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550488
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 26841922
N-(3,4-difluorophenyl)-2-[(3,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915276
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84550493
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid (CID 84550439) is 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid is COc1ccc(C(=O)Nc2nc(C(=O)Nc3ccc(Cl)c(C(=O)O)c3)cs2)cc1.
What is the InChIKey of 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid?
The InChIKey is SEDRNLSFBLDJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O5S/c1-28-12-5-2-10(3-6-12)16(24)23-19-22-15(9-29-19)17(25)21-11-4-7-14(20)13(8-11)18(26)27/h2-9H,1H3,(H,21,25)(H,26,27)(H,22,23,24).
What are the key properties of 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid?
2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid has a molecular weight of 431.86 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 84550439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).