4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione

C16H22N4S — CID 3241203

IUPAC4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione
SMILESCC1CCCCN1CCNc1nc(=S)[nH]c2ccccc12
InChIInChI=1S/C16H22N4S/c1-12-6-4-5-10-20(12)11-9-17-15-13-7-2-3-8-14(13)18-16(21)19-15/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,18,19,21)
InChIKeyUZXYPFJZCQUKEU-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.58
Rot. Bonds4

About 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione

4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione (PubChem CID 3241203) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione.

Molecular Properties

Compound Name4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione
PubChem CID3241203
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione
SMILESCC1CCCCN1CCNc1nc(=S)[nH]c2ccccc12
InChIInChI=1S/C16H22N4S/c1-12-6-4-5-10-20(12)11-9-17-15-13-7-2-3-8-14(13)18-16(21)19-15/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,18,19,21)
InChIKeyUZXYPFJZCQUKEU-UHFFFAOYSA-N
XLogP3.58
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(2-methylpiperidin-1-yl)ethylamino]-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

11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
CID 16103
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
2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
CID 13728080
(R)-2-Phenyl-4-(4-phenyl-piperazin-1-ylmethyl)-1,4,5,6-tetrahydro-pyrimidine
CID 44381216
4-(Methylamino)quinazoline-2-thiol
CID 2578179
4-[(2-Methylphenyl)imino]-1-phenyl-1,3-diazaspiro[4.5]decane-2-thione
CID 828256
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
2-[4-[4-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenyl]piperazin-1-yl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 3006261

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione?
The IUPAC name of 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione (CID 3241203) is 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione.
What is the SMILES notation for 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione?
The canonical SMILES for 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione is CC1CCCCN1CCNc1nc(=S)[nH]c2ccccc12.
What is the InChIKey of 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione?
The InChIKey is UZXYPFJZCQUKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-12-6-4-5-10-20(12)11-9-17-15-13-7-2-3-8-14(13)18-16(21)19-15/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,18,19,21).
What are the key properties of 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione?
4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione has a molecular weight of 302.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpiperidin-1-yl)ethylamino]-1H-quinazoline-2-thione is sourced from PubChem (CID 3241203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).