[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone

C17H16ClNOS — CID 2739312

IUPAC[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNOS/c18-13-5-3-11(4-6-13)16-14-8-10-21-15(14)7-9-19(16)17(20)12-1-2-12/h3-6,8,10,12,16H,1-2,7,9H2
InChIKeyRJGSCKOJCQHSQB-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.29
Rot. Bonds2

About [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone

[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone (PubChem CID 2739312) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone
PubChem CID2739312
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNOS/c18-13-5-3-11(4-6-13)16-14-8-10-21-15(14)7-9-19(16)17(20)12-1-2-12/h3-6,8,10,12,16H,1-2,7,9H2
InChIKeyRJGSCKOJCQHSQB-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone (CID 2739312) is [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCc2sccc2C1c1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone?
The InChIKey is RJGSCKOJCQHSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c18-13-5-3-11(4-6-13)16-14-8-10-21-15(14)7-9-19(16)17(20)12-1-2-12/h3-6,8,10,12,16H,1-2,7,9H2.
What are the key properties of [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone?
[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone has a molecular weight of 317.84 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-cyclopropylmethanone is sourced from PubChem (CID 2739312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).