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

C11H10N2O2S — CID 82730435

IUPAC2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1cccnc1-c1ncc(C(=O)O)s1
InChIInChI=1S/C11H10N2O2S/c1-2-7-4-3-5-12-9(7)10-13-6-8(16-10)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyNRTVCZTZCIHBMH-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.47
Rot. Bonds3

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

2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82730435) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82730435
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1cccnc1-c1ncc(C(=O)O)s1
InChIInChI=1S/C11H10N2O2S/c1-2-7-4-3-5-12-9(7)10-13-6-8(16-10)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyNRTVCZTZCIHBMH-UHFFFAOYSA-N
XLogP2.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.47
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
1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 82741103
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 62497635
5-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 82732281
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
2-(2,6-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 43156441
2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-amine
CID 83107286
2-(2-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 58226859
N-[[2-(3-ethyl-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364114
2-(3-bromo-2-pyridinyl)-3-ethylpyridine
CID 167433763
2-[2-(3-ethyl-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 82740850

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid (CID 82730435) is 2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid is CCc1cccnc1-c1ncc(C(=O)O)s1.
What is the InChIKey of 2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NRTVCZTZCIHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-2-7-4-3-5-12-9(7)10-13-6-8(16-10)11(14)15/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid?
2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-pyridinyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82730435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).