1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione

C19H17NS — CID 14437280

IUPAC1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione
SMILESC=CC(CC(=S)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H17NS/c1-2-14(15-8-4-3-5-9-15)12-19(21)17-13-20-18-11-7-6-10-16(17)18/h2-11,13-14,20H,1,12H2
InChIKeyZSQFAFAGOZKURR-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.25
Rot. Bonds5

About 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione

1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione (PubChem CID 14437280) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione
PubChem CID14437280
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione
SMILESC=CC(CC(=S)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H17NS/c1-2-14(15-8-4-3-5-9-15)12-19(21)17-13-20-18-11-7-6-10-16(17)18/h2-11,13-14,20H,1,12H2
InChIKeyZSQFAFAGOZKURR-UHFFFAOYSA-N
XLogP5.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione with MolForge

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

Launch Full Analysis

Related Compounds

1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122794
prop-2-enyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 15093890
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
3-(3-methylbut-1-en-2-yl)-1H-indole
CID 130016048
N-prop-2-enyl-1H-indole-3-carboxamide
CID 43399249
N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11109608
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] N,N-dimethylcarbamodithioate
CID 7554680
1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
CID 117066232
carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium
CID 138967855
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione?
The IUPAC name of 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione (CID 14437280) is 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione.
What is the SMILES notation for 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione?
The canonical SMILES for 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione is C=CC(CC(=S)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione?
The InChIKey is ZSQFAFAGOZKURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-2-14(15-8-4-3-5-9-15)12-19(21)17-13-20-18-11-7-6-10-16(17)18/h2-11,13-14,20H,1,12H2.
What are the key properties of 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione?
1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione has a molecular weight of 291.42 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-3-phenylpent-4-ene-1-thione is sourced from PubChem (CID 14437280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).