2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid

C14H9N3O2S — CID 104826784

IUPAC2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C14H9N3O2S/c18-14(19)9-3-5-16-11(6-9)13-17-12(8-20-13)10-2-1-4-15-7-10/h1-8H,(H,18,19)
InChIKeyHRXYMDFMAIFFTG-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds3

About 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid

2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid (PubChem CID 104826784) has the molecular formula C14H9N3O2S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid
PubChem CID104826784
Molecular FormulaC14H9N3O2S
Molecular Weight283.31 g/mol
Exact Mass283.04
IUPAC Name2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C14H9N3O2S/c18-14(19)9-3-5-16-11(6-9)13-17-12(8-20-13)10-2-1-4-15-7-10/h1-8H,(H,18,19)
InChIKeyHRXYMDFMAIFFTG-UHFFFAOYSA-N
XLogP2.97
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid
CID 63355636
4-[2-(4-methyl-2-pyridinyl)-1,3-thiazol-4-yl]benzoic acid
CID 63839631
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152488
3-pyridin-3-ylbenzoic acid
CID 2795575
2-pyridin-3-yl-1,3-benzothiazole-6-carboxylic acid
CID 39105580
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate;hydrobromide
CID 18613847
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 18548742
2-(2-pyridin-4-ylpyrimidin-4-yl)pyridine-4-carboxylic acid
CID 56861601
3,4-dipyridin-3-ylbenzoic acid
CID 46316417

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid (CID 104826784) is 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2nc(-c3cccnc3)cs2)c1.
What is the InChIKey of 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is HRXYMDFMAIFFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S/c18-14(19)9-3-5-16-11(6-9)13-17-12(8-20-13)10-2-1-4-15-7-10/h1-8H,(H,18,19).
What are the key properties of 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid?
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 104826784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).