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

C17H17ClN2S2 — CID 2739308

IUPAC4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESC=CCNC(=S)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2S2/c1-2-9-19-17(21)20-10-7-15-14(8-11-22-15)16(20)12-3-5-13(18)6-4-12/h2-6,8,11,16H,1,7,9-10H2,(H,19,21)
InChIKeyIOUCXMNHBMYDBQ-UHFFFAOYSA-N
MW348.92 g/mol
LogP4.41
Rot. Bonds3

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

4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (PubChem CID 2739308) has the molecular formula C17H17ClN2S2 and a molecular weight of 348.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
PubChem CID2739308
Molecular FormulaC17H17ClN2S2
Molecular Weight348.92 g/mol
Exact Mass348.05
IUPAC Name4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESC=CCNC(=S)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2S2/c1-2-9-19-17(21)20-10-7-15-14(8-11-22-15)16(20)12-3-5-13(18)6-4-12/h2-6,8,11,16H,1,7,9-10H2,(H,19,21)
InChIKeyIOUCXMNHBMYDBQ-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

N5-methyl-4-propyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739368
4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2739269
N-(4-chlorobenzyl)-N'-methyl-N-(2-thienylmethyl)thiourea
CID 2726731
N-(4-chlorobenzyl)-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726749
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 44535881
1-[(4-Chlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 285511
2-(4-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 16783198
1-(1-(4-Methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-3-phenethylthiourea
CID 12005974
4-(2-chlorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 21953224
2-Thenylamine, alpha-(p-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3062002
N-Benzyl-2-(4-chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine
CID 3062006

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The IUPAC name of 4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (CID 2739308) is 4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is C=CCNC(=S)N1CCc2sccc2C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The InChIKey is IOUCXMNHBMYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2S2/c1-2-9-19-17(21)20-10-7-15-14(8-11-22-15)16(20)12-3-5-13(18)6-4-12/h2-6,8,11,16H,1,7,9-10H2,(H,19,21).
What are the key properties of 4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide has a molecular weight of 348.92 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-prop-2-enyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is sourced from PubChem (CID 2739308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).