2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone

C16H13NOS — CID 81148519

IUPAC2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
SMILESCc1ccccc1CC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C16H13NOS/c1-11-4-2-3-5-12(11)8-15(18)13-9-16-14(17-10-13)6-7-19-16/h2-7,9-10H,8H2,1H3
InChIKeyBTUWJKANCUUAOZ-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone

2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone (PubChem CID 81148519) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
PubChem CID81148519
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
SMILESCc1ccccc1CC(=O)c1cnc2ccsc2c1
InChIInChI=1S/C16H13NOS/c1-11-4-2-3-5-12(11)8-15(18)13-9-16-14(17-10-13)6-7-19-16/h2-7,9-10H,8H2,1H3
InChIKeyBTUWJKANCUUAOZ-UHFFFAOYSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146391
2-(4-bromothiophen-2-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81147988
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
phenyl(thieno[3,2-b]pyridin-6-yl)methanone
CID 81147858
2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanone
CID 83171844
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
CID 81147598
thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone
CID 81147088
3-cyclopropyl-1-thieno[3,2-b]pyridin-6-ylpropan-1-one
CID 81146669
2-cyclohexyl-1-thieno[3,2-b]pyridin-6-ylethanone
CID 81146664
N-methyl-2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143207
3-ethyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-one
CID 81144218

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone?
The IUPAC name of 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone (CID 81148519) is 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone is Cc1ccccc1CC(=O)c1cnc2ccsc2c1.
What is the InChIKey of 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone?
The InChIKey is BTUWJKANCUUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-4-2-3-5-12(11)8-15(18)13-9-16-14(17-10-13)6-7-19-16/h2-7,9-10H,8H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone?
2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanone is sourced from PubChem (CID 81148519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).