1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol

C14H17NOS — CID 79976328

IUPAC1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCCc1ccsc1C(O)Cc1ncccc1C
InChIInChI=1S/C14H17NOS/c1-3-11-6-8-17-14(11)13(16)9-12-10(2)5-4-7-15-12/h4-8,13,16H,3,9H2,1-2H3
InChIKeyVUSOECNSBWIWPY-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.29
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol

1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol (PubChem CID 79976328) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
PubChem CID79976328
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCCc1ccsc1C(O)Cc1ncccc1C
InChIInChI=1S/C14H17NOS/c1-3-11-6-8-17-14(11)13(16)9-12-10(2)5-4-7-15-12/h4-8,13,16H,3,9H2,1-2H3
InChIKeyVUSOECNSBWIWPY-UHFFFAOYSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol (CID 79976328) is 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol is CCc1ccsc1C(O)Cc1ncccc1C.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is VUSOECNSBWIWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-11-6-8-17-14(11)13(16)9-12-10(2)5-4-7-15-12/h4-8,13,16H,3,9H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol has a molecular weight of 247.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 79976328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).