1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol

C14H17NOS — CID 62608280

IUPAC1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol
SMILESCCc1ccc(CC(O)Cc2ccncc2)s1
InChIInChI=1S/C14H17NOS/c1-2-13-3-4-14(17-13)10-12(16)9-11-5-7-15-8-6-11/h3-8,12,16H,2,9-10H2,1H3
InChIKeyPYLSWQZSAXLJFE-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.85
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol

1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol (PubChem CID 62608280) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol
PubChem CID62608280
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol
SMILESCCc1ccc(CC(O)Cc2ccncc2)s1
InChIInChI=1S/C14H17NOS/c1-2-13-3-4-14(17-13)10-12(16)9-11-5-7-15-8-6-11/h3-8,12,16H,2,9-10H2,1H3
InChIKeyPYLSWQZSAXLJFE-UHFFFAOYSA-N
XLogP2.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-4-pyridin-4-ylbutan-2-ol
CID 105087600
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
[2-(5-ethylthiophen-2-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196515
2,5-diethylthiophene
CID 521294
1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol
CID 105087659
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63896090
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 66054897
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
1-(3,4-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 82919441

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol (CID 62608280) is 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol is CCc1ccc(CC(O)Cc2ccncc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol?
The InChIKey is PYLSWQZSAXLJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-13-3-4-14(17-13)10-12(16)9-11-5-7-15-8-6-11/h3-8,12,16H,2,9-10H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol?
1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol has a molecular weight of 247.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 62608280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).