4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid

C13H13NO3S — CID 175246977

IUPAC4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1csc(-c2cc(C(=O)O)ccc2C(C)O)n1
InChIInChI=1S/C13H13NO3S/c1-7-6-18-12(14-7)11-5-9(13(16)17)3-4-10(11)8(2)15/h3-6,8,15H,1-2H3,(H,16,17)
InChIKeyNKRCMNVLHVUFOA-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.87
Rot. Bonds3

About 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid

4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid (PubChem CID 175246977) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid
PubChem CID175246977
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1csc(-c2cc(C(=O)O)ccc2C(C)O)n1
InChIInChI=1S/C13H13NO3S/c1-7-6-18-12(14-7)11-5-9(13(16)17)3-4-10(11)8(2)15/h3-6,8,15H,1-2H3,(H,16,17)
InChIKeyNKRCMNVLHVUFOA-UHFFFAOYSA-N
XLogP2.87
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid (CID 175246977) is 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid is Cc1csc(-c2cc(C(=O)O)ccc2C(C)O)n1.
What is the InChIKey of 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid?
The InChIKey is NKRCMNVLHVUFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-7-6-18-12(14-7)11-5-9(13(16)17)3-4-10(11)8(2)15/h3-6,8,15H,1-2H3,(H,16,17).
What are the key properties of 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid?
4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid has a molecular weight of 263.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 175246977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).