4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid

C17H14N2O3S — CID 162757147

IUPAC4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid
SMILESCc1nc(C)c(-c2cncc(-c3ccc(C(=O)O)c(O)c3)c2)s1
InChIInChI=1S/C17H14N2O3S/c1-9-16(23-10(2)19-9)13-5-12(7-18-8-13)11-3-4-14(17(21)22)15(20)6-11/h3-8,20H,1-2H3,(H,21,22)
InChIKeyGEVUNCBOWIZTRG-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.89
Rot. Bonds3

About 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid

4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid (PubChem CID 162757147) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid
PubChem CID162757147
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid
SMILESCc1nc(C)c(-c2cncc(-c3ccc(C(=O)O)c(O)c3)c2)s1
InChIInChI=1S/C17H14N2O3S/c1-9-16(23-10(2)19-9)13-5-12(7-18-8-13)11-3-4-14(17(21)22)15(20)6-11/h3-8,20H,1-2H3,(H,21,22)
InChIKeyGEVUNCBOWIZTRG-UHFFFAOYSA-N
XLogP3.89
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid (CID 162757147) is 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid is Cc1nc(C)c(-c2cncc(-c3ccc(C(=O)O)c(O)c3)c2)s1.
What is the InChIKey of 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid?
The InChIKey is GEVUNCBOWIZTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-9-16(23-10(2)19-9)13-5-12(7-18-8-13)11-3-4-14(17(21)22)15(20)6-11/h3-8,20H,1-2H3,(H,21,22).
What are the key properties of 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid?
4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid has a molecular weight of 326.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-pyridinyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 162757147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).