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

C10H8N2O2S — CID 96608360

IUPAC2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)ccn2)cs1
InChIInChI=1S/C10H8N2O2S/c1-6-12-9(5-15-6)8-4-7(10(13)14)2-3-11-8/h2-5H,1H3,(H,13,14)
InChIKeyDGNSCFJXXIDGDP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

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

2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 96608360) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
PubChem CID96608360
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
SMILESCc1nc(-c2cc(C(=O)O)ccn2)cs1
InChIInChI=1S/C10H8N2O2S/c1-6-12-9(5-15-6)8-4-7(10(13)14)2-3-11-8/h2-5H,1H3,(H,13,14)
InChIKeyDGNSCFJXXIDGDP-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid
CID 73012807
6-Methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 2795963
4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic Acid
CID 7131217
2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 1483713
4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 2763489
2-(2-Azanyl-1,3-Thiazol-4-Yl)pyridine-4-Carboxylic Acid
CID 96607511
2-[4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]acetic Acid
CID 2118147
2-(1,3-Thiazol-4-yl)pyridine-4-carboxylic acid
CID 96617507
3-(1,3-Thiazol-4-ylmethylamino)pyridine-4-carboxylic acid
CID 114288702
2-(2-Benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 127031758
Benzoic acid, 4-[[4-(2-pyridinyl)-2-thiazolyl]amino]-
CID 704429
2-(Thiophen-2-yl)pyridine-4-carboxylic acid
CID 4739102

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid (CID 96608360) is 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid is Cc1nc(-c2cc(C(=O)O)ccn2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is DGNSCFJXXIDGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-12-9(5-15-6)8-4-7(10(13)14)2-3-11-8/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid?
2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 96608360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).