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

C14H14N2O4S — CID 60831265

IUPAC4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncsc1C(=O)N(CCO)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O4S/c1-9-12(21-8-15-9)13(18)16(6-7-17)11-4-2-10(3-5-11)14(19)20/h2-5,8,17H,6-7H2,1H3,(H,19,20)
InChIKeyGPPZTWKPLOSMAN-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.79
Rot. Bonds5

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

4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (PubChem CID 60831265) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
PubChem CID60831265
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
SMILESCc1ncsc1C(=O)N(CCO)c1ccc(C(=O)O)cc1
InChIInChI=1S/C14H14N2O4S/c1-9-12(21-8-15-9)13(18)16(6-7-17)11-4-2-10(3-5-11)14(19)20/h2-5,8,17H,6-7H2,1H3,(H,19,20)
InChIKeyGPPZTWKPLOSMAN-UHFFFAOYSA-N
XLogP1.79
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid (CID 60831265) is 4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is Cc1ncsc1C(=O)N(CCO)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is GPPZTWKPLOSMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-12(21-8-15-9)13(18)16(6-7-17)11-4-2-10(3-5-11)14(19)20/h2-5,8,17H,6-7H2,1H3,(H,19,20).
What are the key properties of 4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid?
4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 60831265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).