2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid

C10H8N2O2S — CID 66654677

IUPAC2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(-c2ncc(C(=O)O)s2)ccn1
InChIInChI=1S/C10H8N2O2S/c1-6-4-7(2-3-11-6)9-12-5-8(15-9)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyWIEMICMYWSSNIQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid

2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 66654677) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
PubChem CID66654677
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(-c2ncc(C(=O)O)s2)ccn1
InChIInChI=1S/C10H8N2O2S/c1-6-4-7(2-3-11-6)9-12-5-8(15-9)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyWIEMICMYWSSNIQ-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-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid
CID 104789074
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
1-[2-(3-chlorophenyl)-1,3-thiazol-5-yl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one
CID 161393038
2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 141218713
methyl 2-(4-bromo-3-methylphenyl)-1,3-thiazole-5-carboxylate
CID 80574021
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 43333581
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 82730435
2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 107931351
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid
CID 81147844

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid (CID 66654677) is 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid is Cc1cc(-c2ncc(C(=O)O)s2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WIEMICMYWSSNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-4-7(2-3-11-6)9-12-5-8(15-9)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid?
2-(2-methyl-4-pyridinyl)-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 2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66654677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).