3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol

C13H16N2OS — CID 116891375

IUPAC3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
SMILESCC(C)C(CO)c1csc(-c2cccnc2)n1
InChIInChI=1S/C13H16N2OS/c1-9(2)11(7-16)12-8-17-13(15-12)10-4-3-5-14-6-10/h3-6,8-9,11,16H,7H2,1-2H3
InChIKeyWUGFRSINMORAPS-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.94
Rot. Bonds4

About 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol

3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol (PubChem CID 116891375) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
PubChem CID116891375
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
SMILESCC(C)C(CO)c1csc(-c2cccnc2)n1
InChIInChI=1S/C13H16N2OS/c1-9(2)11(7-16)12-8-17-13(15-12)10-4-3-5-14-6-10/h3-6,8-9,11,16H,7H2,1-2H3
InChIKeyWUGFRSINMORAPS-UHFFFAOYSA-N
XLogP2.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol 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-pyridin-3-yl-1,3-thiazol-4-yl)methanediol
CID 130242448
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol
CID 116891373
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)butanoic acid
CID 116889238
N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64542865
3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891359
3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol
CID 116896453
(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid
CID 151833178
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol?
The IUPAC name of 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol (CID 116891375) is 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol?
The canonical SMILES for 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol is CC(C)C(CO)c1csc(-c2cccnc2)n1.
What is the InChIKey of 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol?
The InChIKey is WUGFRSINMORAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(2)11(7-16)12-8-17-13(15-12)10-4-3-5-14-6-10/h3-6,8-9,11,16H,7H2,1-2H3.
What are the key properties of 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol?
3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol is sourced from PubChem (CID 116891375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).