1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol

C13H19NOS — CID 105096815

IUPAC1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol
SMILESCc1ccc(C(O)CC2CCSCC2)cn1
InChIInChI=1S/C13H19NOS/c1-10-2-3-12(9-14-10)13(15)8-11-4-6-16-7-5-11/h2-3,9,11,13,15H,4-8H2,1H3
InChIKeyHLASKFDMUIIDJM-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.96
Rot. Bonds3

About 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol

1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol (PubChem CID 105096815) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol
PubChem CID105096815
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol
SMILESCc1ccc(C(O)CC2CCSCC2)cn1
InChIInChI=1S/C13H19NOS/c1-10-2-3-12(9-14-10)13(15)8-11-4-6-16-7-5-11/h2-3,9,11,13,15H,4-8H2,1H3
InChIKeyHLASKFDMUIIDJM-UHFFFAOYSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol 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

1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
CID 104823049
2-cyclopentyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854888
2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
CID 65139338
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 105109885
2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
CID 105103480
1-(2,3-difluoro-4-methylphenyl)-2-(thian-4-yl)ethanol
CID 107516261
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863
3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
1-(3-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanol
CID 105117357
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
(6-methyl-3-pyridinyl)-(4-propylcyclohexyl)methanamine
CID 65424529

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol (CID 105096815) is 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol is Cc1ccc(C(O)CC2CCSCC2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol?
The InChIKey is HLASKFDMUIIDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-2-3-12(9-14-10)13(15)8-11-4-6-16-7-5-11/h2-3,9,11,13,15H,4-8H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol?
1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol has a molecular weight of 237.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol is sourced from PubChem (CID 105096815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).