2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone

C15H17NOS — CID 81146664

IUPAC2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone
SMILESO=C(CC1CCCCC1)c1cnc2ccsc2c1
InChIInChI=1S/C15H17NOS/c17-14(8-11-4-2-1-3-5-11)12-9-15-13(16-10-12)6-7-18-15/h6-7,9-11H,1-5,8H2
InChIKeyGCWPARVZNGFWJO-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.45
Rot. Bonds3

About 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone

2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone (PubChem CID 81146664) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone
PubChem CID81146664
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone
SMILESO=C(CC1CCCCC1)c1cnc2ccsc2c1
InChIInChI=1S/C15H17NOS/c17-14(8-11-4-2-1-3-5-11)12-9-15-13(16-10-12)6-7-18-15/h6-7,9-11H,1-5,8H2
InChIKeyGCWPARVZNGFWJO-UHFFFAOYSA-N
XLogP4.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
CID 81146669
1-thieno[3,2-b]pyridin-6-ylbut-3-yn-1-one
CID 81147974
1-thieno[3,2-b]pyridin-6-ylhexan-1-one
CID 81148126
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
CID 81147598
1-[3,5-bis(2-cyclohexylacetyl)phenyl]-2-cyclohexylethanone
CID 160549823
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146391
2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81148519
2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81147988
2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 83171844
phenyl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81147858
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
2-(thieno[3,2-b]pyridine-6-carbonylamino)acetic acid
CID 66952677

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone?
The IUPAC name of 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone (CID 81146664) is 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone.
What is the SMILES notation for 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone?
The canonical SMILES for 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone is O=C(CC1CCCCC1)c1cnc2ccsc2c1.
What is the InChIKey of 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone?
The InChIKey is GCWPARVZNGFWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c17-14(8-11-4-2-1-3-5-11)12-9-15-13(16-10-12)6-7-18-15/h6-7,9-11H,1-5,8H2.
What are the key properties of 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone?
2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone has a molecular weight of 259.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone is sourced from PubChem (CID 81146664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).