(2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone

C17H13NOS — CID 102231239

IUPAC(2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone
SMILESCc1ccccc1C(=O)c1sccc1-c1ccccn1
InChIInChI=1S/C17H13NOS/c1-12-6-2-3-7-13(12)16(19)17-14(9-11-20-17)15-8-4-5-10-18-15/h2-11H,1H3
InChIKeyQMQNUMJRIFYOTG-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.35
Rot. Bonds3

About (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone

(2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone (PubChem CID 102231239) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone
PubChem CID102231239
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name(2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone
SMILESCc1ccccc1C(=O)c1sccc1-c1ccccn1
InChIInChI=1S/C17H13NOS/c1-12-6-2-3-7-13(12)16(19)17-14(9-11-20-17)15-8-4-5-10-18-15/h2-11H,1H3
InChIKeyQMQNUMJRIFYOTG-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone?
The IUPAC name of (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone (CID 102231239) is (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone is Cc1ccccc1C(=O)c1sccc1-c1ccccn1.
What is the InChIKey of (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone?
The InChIKey is QMQNUMJRIFYOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c1-12-6-2-3-7-13(12)16(19)17-14(9-11-20-17)15-8-4-5-10-18-15/h2-11H,1H3.
What are the key properties of (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone?
(2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone has a molecular weight of 279.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(3-pyridin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 102231239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).