2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid

C12H11N3O4S — CID 61195157

IUPAC2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
SMILESCc1csc(NC(=O)Nc2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C12H11N3O4S/c1-6-5-20-12(13-6)15-11(19)14-7-2-3-8(10(17)18)9(16)4-7/h2-5,16H,1H3,(H,17,18)(H2,13,14,15,19)
InChIKeyOMIZCQYCUVBWQX-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.50
Rot. Bonds3

About 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid

2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid (PubChem CID 61195157) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
PubChem CID61195157
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
SMILESCc1csc(NC(=O)Nc2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C12H11N3O4S/c1-6-5-20-12(13-6)15-11(19)14-7-2-3-8(10(17)18)9(16)4-7/h2-5,16H,1H3,(H,17,18)(H2,13,14,15,19)
InChIKeyOMIZCQYCUVBWQX-UHFFFAOYSA-N
XLogP2.50
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47433240
4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid
CID 115412042
2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 695875
2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]acetic acid
CID 61196286
4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 1092447
2-hydroxy-4-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]benzoic acid
CID 43358317
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 61341658
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 2215046
2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid
CID 61183092
N-(3-hydroxyphenyl)-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997307
1-[4-(cyclopentylmethylamino)phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 86882671
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid (CID 61195157) is 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid is Cc1csc(NC(=O)Nc2ccc(C(=O)O)c(O)c2)n1.
What is the InChIKey of 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
The InChIKey is OMIZCQYCUVBWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-6-5-20-12(13-6)15-11(19)14-7-2-3-8(10(17)18)9(16)4-7/h2-5,16H,1H3,(H,17,18)(H2,13,14,15,19).
What are the key properties of 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid?
2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid has a molecular weight of 293.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61195157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).