5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one

C14H14ClNOS — CID 15097004

IUPAC5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one
SMILESO=C1CC2=C(CCN(Cc3ccccc3Cl)C2)S1
InChIInChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)8-16-6-5-13-11(9-16)7-14(17)18-13/h1-4H,5-9H2
InChIKeyMEDQWVBHBMJIAM-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.46
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one

5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one (PubChem CID 15097004) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one
PubChem CID15097004
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one
SMILESO=C1CC2=C(CCN(Cc3ccccc3Cl)C2)S1
InChIInChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)8-16-6-5-13-11(9-16)7-14(17)18-13/h1-4H,5-9H2
InChIKeyMEDQWVBHBMJIAM-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one (CID 15097004) is 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one is O=C1CC2=C(CCN(Cc3ccccc3Cl)C2)S1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one?
The InChIKey is MEDQWVBHBMJIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)8-16-6-5-13-11(9-16)7-14(17)18-13/h1-4H,5-9H2.
What are the key properties of 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one?
5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one has a molecular weight of 279.79 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-2-one is sourced from PubChem (CID 15097004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).