2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C13H11BrN2O4S — CID 107729424

IUPAC2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNC(=O)c2cc(Br)ccc2O)n1
InChIInChI=1S/C13H11BrN2O4S/c14-7-1-2-10(17)8(5-7)12(18)15-4-3-11-16-9(6-21-11)13(19)20/h1-2,5-6,17H,3-4H2,(H,15,18)(H,19,20)
InChIKeyUTRXAWBXEYNIHZ-UHFFFAOYSA-N
MW371.21 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 107729424) has the molecular formula C13H11BrN2O4S and a molecular weight of 371.21 g/mol. Its IUPAC name is 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID107729424
Molecular FormulaC13H11BrN2O4S
Molecular Weight371.21 g/mol
Exact Mass369.96
IUPAC Name2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CCNC(=O)c2cc(Br)ccc2O)n1
InChIInChI=1S/C13H11BrN2O4S/c14-7-1-2-10(17)8(5-7)12(18)15-4-3-11-16-9(6-21-11)13(19)20/h1-2,5-6,17H,3-4H2,(H,15,18)(H,19,20)
InChIKeyUTRXAWBXEYNIHZ-UHFFFAOYSA-N
XLogP2.28
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-hydroxy-4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374641
2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107675014
2-[2-[(2-fluoro-6-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107013694
2-[2-[(2-amino-5-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374408
2-[2-[(2-fluoro-5-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372733
2-[2-[(3-bromophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374282
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
2-[2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373092
5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103616957
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydroxybenzamide
CID 107729654
2-[2-[(3-fluoropyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375227
2-[2-[(4-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373281

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 107729424) is 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CCNC(=O)c2cc(Br)ccc2O)n1.
What is the InChIKey of 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UTRXAWBXEYNIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4S/c14-7-1-2-10(17)8(5-7)12(18)15-4-3-11-16-9(6-21-11)13(19)20/h1-2,5-6,17H,3-4H2,(H,15,18)(H,19,20).
What are the key properties of 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 371.21 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107729424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).