2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C14H14N2O4S — CID 107675014

IUPAC2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(C(=O)NCCc2nc(C(=O)O)cs2)ccc1O
InChIInChI=1S/C14H14N2O4S/c1-8-6-9(2-3-11(8)17)13(18)15-5-4-12-16-10(7-21-12)14(19)20/h2-3,6-7,17H,4-5H2,1H3,(H,15,18)(H,19,20)
InChIKeyWCKLTACMAKVXLG-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.83
Rot. Bonds5

About 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 107675014) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID107675014
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cc(C(=O)NCCc2nc(C(=O)O)cs2)ccc1O
InChIInChI=1S/C14H14N2O4S/c1-8-6-9(2-3-11(8)17)13(18)15-5-4-12-16-10(7-21-12)14(19)20/h2-3,6-7,17H,4-5H2,1H3,(H,15,18)(H,19,20)
InChIKeyWCKLTACMAKVXLG-UHFFFAOYSA-N
XLogP1.83
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.83
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-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373281
2-[2-[(4-amino-3-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374980
2-[2-[[4-(dimethylamino)-3-fluorobenzoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 167775492
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
2-[2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375242
2-[2-[(5-bromo-2-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107729424
4-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112705731
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[2-[(2-fluoro-6-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 107013694
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
2-[2-(pyridine-3-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373470

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 107675014) is 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is Cc1cc(C(=O)NCCc2nc(C(=O)O)cs2)ccc1O.
What is the InChIKey of 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WCKLTACMAKVXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-8-6-9(2-3-11(8)17)13(18)15-5-4-12-16-10(7-21-12)14(19)20/h2-3,6-7,17H,4-5H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-hydroxy-3-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107675014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).