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

C14H16N2O2S — CID 114359639

IUPAC2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ncc(C)cc2C)sc1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-4-5-10-12(14(17)18)19-13(16-10)11-9(3)6-8(2)7-15-11/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyMNAFQQHMDJKBFE-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.47
Rot. Bonds4

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

2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114359639) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID114359639
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ncc(C)cc2C)sc1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-4-5-10-12(14(17)18)19-13(16-10)11-9(3)6-8(2)7-15-11/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyMNAFQQHMDJKBFE-UHFFFAOYSA-N
XLogP3.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106817947
2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103083519
2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359583
2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359674
2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065229
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82154835
2-[(3,4-dimethylphenyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359522
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106847725
2-(2,5-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065210
2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114556534

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 114359639) is 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(-c2ncc(C)cc2C)sc1C(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MNAFQQHMDJKBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-5-10-12(14(17)18)19-13(16-10)11-9(3)6-8(2)7-15-11/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).