5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid

C9H6N2O2S — CID 22709467

IUPAC5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2ccncc2)s1
InChIInChI=1S/C9H6N2O2S/c12-9(13)8-11-5-7(14-8)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChIKeyCRTKTHURRXSBLH-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.90
Rot. Bonds2

About 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid

5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid (PubChem CID 22709467) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
PubChem CID22709467
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(-c2ccncc2)s1
InChIInChI=1S/C9H6N2O2S/c12-9(13)8-11-5-7(14-8)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChIKeyCRTKTHURRXSBLH-UHFFFAOYSA-N
XLogP1.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-(5-pyridin-4-yl-1,3-thiazol-2-yl)carbamic acid
CID 69177329
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031
5-pyridin-4-yl-1,3-thiazole-2-carbaldehyde
CID 83383281
2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 159721242
4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid
CID 71406990
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-pyridin-4-yl-1,3-thiazole-2-carboxamide
CID 18180659
2-ethyl-5-pyridin-4-yl-1,3-thiazole
CID 89469223
2-bromo-1-pyridin-4-ylethanone;5-pyridin-4-yl-1,3-thiazol-2-amine
CID 157159812
2-benzyl-5-pyridin-4-yl-1,3-thiazole
CID 14207536
(Z)-4-hydroxy-3-(5-phenyl-1,3-thiazol-2-yl)pent-3-en-2-one
CID 135531506
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
2-[(5-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-N-sulfanylacetamide
CID 142921743

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid (CID 22709467) is 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid is O=C(O)c1ncc(-c2ccncc2)s1.
What is the InChIKey of 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid?
The InChIKey is CRTKTHURRXSBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-9(13)8-11-5-7(14-8)6-1-3-10-4-2-6/h1-5H,(H,12,13).
What are the key properties of 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid?
5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid has a molecular weight of 206.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 22709467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).