4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione

C18H26N4S — CID 4215620

IUPAC4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione
SMILESCCC1CCCCN1CCCNc1nc(=S)[nH]c2ccccc12
InChIInChI=1S/C18H26N4S/c1-2-14-8-5-6-12-22(14)13-7-11-19-17-15-9-3-4-10-16(15)20-18(23)21-17/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H2,19,20,21,23)
InChIKeyVBJFOKPYANPXPU-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.36
Rot. Bonds6

About 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione

4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione (PubChem CID 4215620) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione.

Molecular Properties

Compound Name4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione
PubChem CID4215620
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione
SMILESCCC1CCCCN1CCCNc1nc(=S)[nH]c2ccccc12
InChIInChI=1S/C18H26N4S/c1-2-14-8-5-6-12-22(14)13-7-11-19-17-15-9-3-4-10-16(15)20-18(23)21-17/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H2,19,20,21,23)
InChIKeyVBJFOKPYANPXPU-UHFFFAOYSA-N
XLogP4.36
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-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-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride
CID 10247719
2-Ethyl-1,2-dihydro-4-quinazolinamine
CID 10313340
(+)-(6S)-3,4,5,6-Tetrahydro-2-phenyl-6-((4-phenyl-1-piperazinyl)methyl)pyrimidine
CID 10359539
(R)-2-Phenyl-4-(4-phenyl-piperazin-1-ylmethyl)-1,4,5,6-tetrahydro-pyrimidine
CID 44381216
4-(Methylamino)quinazoline-2-thiol
CID 2578179
1,8-Diamino-6-(diethylamino)-2-(2-methylphenyl)-3-sulfanylidene-2,7-naphthyridine-4,5-dicarbonitrile
CID 2104057
1-(1-Benzylpiperidin-4-yl)-3-(2-methylphenyl)thiourea
CID 2403260
(R)-2-Phenyl-5-(4-phenyl-piperazin-1-yl)-4,5,6,7-tetrahydro-1H-[1,3]diazepine
CID 44381424
N-(2-cyclohexylethyl)-4-methyl-3,4-dihydro-1H-quinazolin-2-imine
CID 136152965
2-Cyclopentyl-1,2-dihydro-4-quinazolinamine
CID 9837291
2-Phenyl-1,2-dihydroquinazolin-4-amine
CID 10220135
2-Methyl-1,2-dihydroquinazolin-4-amine
CID 10313251

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione?
The IUPAC name of 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione (CID 4215620) is 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione.
What is the SMILES notation for 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione?
The canonical SMILES for 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione is CCC1CCCCN1CCCNc1nc(=S)[nH]c2ccccc12.
What is the InChIKey of 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione?
The InChIKey is VBJFOKPYANPXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-2-14-8-5-6-12-22(14)13-7-11-19-17-15-9-3-4-10-16(15)20-18(23)21-17/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H2,19,20,21,23).
What are the key properties of 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione?
4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione has a molecular weight of 330.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylpiperidin-1-yl)propylamino]-1H-quinazoline-2-thione is sourced from PubChem (CID 4215620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).