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

C10H8N2O2S — CID 2763489

IUPAC4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cccnc2)sc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14)
InChIKeyCJLQNROYBZEUGH-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

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

4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 2763489) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
PubChem CID2763489
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cccnc2)sc1C(=O)O
InChIInChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14)
InChIKeyCJLQNROYBZEUGH-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

2-(2-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 214841
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid
CID 73012807
2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 716091
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
CID 2763623
2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 1483713
4-Methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 1483714
Ethyl 4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carboxylate
CID 45489221
3-(1,3-Thiazol-4-ylmethylamino)pyridine-4-carboxylic acid
CID 114288702
4-(4-Chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 118709540
N,4-dimethyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 1483710
Ethyl 4-methyl-2-(pyridin-4-yl)-1,3-thiazole-5-carboxylate
CID 619089

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid (CID 2763489) is 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2cccnc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CJLQNROYBZEUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14).
What are the key properties of 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid?
4-methyl-2-pyridin-3-yl-1,3-thiazole-5-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 4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 2763489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).