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

C17H14N2O3S — CID 162757383

IUPAC4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid
SMILESCc1nc(C)c(-c2ccnc(-c3ccc(C(=O)O)c(O)c3)c2)s1
InChIInChI=1S/C17H14N2O3S/c1-9-16(23-10(2)19-9)12-5-6-18-14(7-12)11-3-4-13(17(21)22)15(20)8-11/h3-8,20H,1-2H3,(H,21,22)
InChIKeyNEQVTSRQQXVLGK-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.89
Rot. Bonds3

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

4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid (PubChem CID 162757383) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid
PubChem CID162757383
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid
SMILESCc1nc(C)c(-c2ccnc(-c3ccc(C(=O)O)c(O)c3)c2)s1
InChIInChI=1S/C17H14N2O3S/c1-9-16(23-10(2)19-9)12-5-6-18-14(7-12)11-3-4-13(17(21)22)15(20)8-11/h3-8,20H,1-2H3,(H,21,22)
InChIKeyNEQVTSRQQXVLGK-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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Related Compounds

2-Hydroxy-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide
CID 4794330
3-[2-(2-Propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenol
CID 25013058
US20230348450, Example 217
CID 162757010
US20230348450, Example 199
CID 162757024
US20230348450, Example 255
CID 162757035
US20230348450, Example 259
CID 162757046
US20230348450, Example 162
CID 162757070
US20230348450, Example 146
CID 162757085
US20230348450, Example 150
CID 162757135
US20230348450, Example 99
CID 162757141
US20230348450, Example 1
CID 162757161
US20230348450, Example 236
CID 162757167

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid (CID 162757383) is 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid is Cc1nc(C)c(-c2ccnc(-c3ccc(C(=O)O)c(O)c3)c2)s1.
What is the InChIKey of 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid?
The InChIKey is NEQVTSRQQXVLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-9-16(23-10(2)19-9)12-5-6-18-14(7-12)11-3-4-13(17(21)22)15(20)8-11/h3-8,20H,1-2H3,(H,21,22).
What are the key properties of 4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid?
4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-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-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyridinyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 162757383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).