4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide

C18H20N2OS2 — CID 2739535

IUPAC4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESC=CCNC(=S)N1CCc2sccc2C1c1ccc(OC)cc1
InChIInChI=1S/C18H20N2OS2/c1-3-10-19-18(22)20-11-8-16-15(9-12-23-16)17(20)13-4-6-14(21-2)7-5-13/h3-7,9,12,17H,1,8,10-11H2,2H3,(H,19,22)
InChIKeyHESGRRFFTWHNMB-UHFFFAOYSA-N
MW344.51 g/mol
LogP3.76
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide

4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (PubChem CID 2739535) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
PubChem CID2739535
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC Name4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESC=CCNC(=S)N1CCc2sccc2C1c1ccc(OC)cc1
InChIInChI=1S/C18H20N2OS2/c1-3-10-19-18(22)20-11-8-16-15(9-12-23-16)17(20)13-4-6-14(21-2)7-5-13/h3-7,9,12,17H,1,8,10-11H2,2H3,(H,19,22)
InChIKeyHESGRRFFTWHNMB-UHFFFAOYSA-N
XLogP3.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide 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-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (CID 2739535) is 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is C=CCNC(=S)N1CCc2sccc2C1c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The InChIKey is HESGRRFFTWHNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-3-10-19-18(22)20-11-8-16-15(9-12-23-16)17(20)13-4-6-14(21-2)7-5-13/h3-7,9,12,17H,1,8,10-11H2,2H3,(H,19,22).
What are the key properties of 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide has a molecular weight of 344.51 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is sourced from PubChem (CID 2739535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).