2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C12H10N2O4S — CID 66381423

IUPAC2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCc1nc(C(=O)O)cs1)c1cccc(O)c1
InChIInChI=1S/C12H10N2O4S/c15-8-3-1-2-7(4-8)11(16)13-5-10-14-9(6-19-10)12(17)18/h1-4,6,15H,5H2,(H,13,16)(H,17,18)
InChIKeyJWMAFHSNYFOYEQ-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.48
Rot. Bonds4

About 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66381423) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66381423
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCc1nc(C(=O)O)cs1)c1cccc(O)c1
InChIInChI=1S/C12H10N2O4S/c15-8-3-1-2-7(4-8)11(16)13-5-10-14-9(6-19-10)12(17)18/h1-4,6,15H,5H2,(H,13,16)(H,17,18)
InChIKeyJWMAFHSNYFOYEQ-UHFFFAOYSA-N
XLogP1.48
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 166178694
2-[[(3-cyanobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380263
2-[[(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379283
2-[(1,3-benzothiazole-6-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379878
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
CID 7140214
5-[[(3-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099820
2-[(indolizine-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 91645018
2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381219
2-[2-[(3-hydroxy-4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374641
2-[(3-hydroxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187072

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66381423) is 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is O=C(NCc1nc(C(=O)O)cs1)c1cccc(O)c1.
What is the InChIKey of 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JWMAFHSNYFOYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c15-8-3-1-2-7(4-8)11(16)13-5-10-14-9(6-19-10)12(17)18/h1-4,6,15H,5H2,(H,13,16)(H,17,18).
What are the key properties of 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66381423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).