1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol

C14H17NOS — CID 66459897

IUPAC1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cc(C)c(C)s1
InChIInChI=1S/C14H17NOS/c1-9-5-4-6-15-12(9)8-13(16)14-7-10(2)11(3)17-14/h4-7,13,16H,8H2,1-3H3
InChIKeyGZMQSXFOVFJVPZ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.34
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol

1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol (PubChem CID 66459897) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
PubChem CID66459897
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cc(C)c(C)s1
InChIInChI=1S/C14H17NOS/c1-9-5-4-6-15-12(9)8-13(16)14-7-10(2)11(3)17-14/h4-7,13,16H,8H2,1-3H3
InChIKeyGZMQSXFOVFJVPZ-UHFFFAOYSA-N
XLogP3.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)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-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461704
1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 79976328
1-(4,5-dimethylthiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 65238266
1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020682
1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 115354635
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
CID 80538075
1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787194
1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812072
2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66460200
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101
1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol
CID 115808765
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 81461099

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol (CID 66459897) is 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol is Cc1cccnc1CC(O)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is GZMQSXFOVFJVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9-5-4-6-15-12(9)8-13(16)14-7-10(2)11(3)17-14/h4-7,13,16H,8H2,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol has a molecular weight of 247.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 66459897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).