2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C11H16N2S — CID 106477104

IUPAC2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C11H16N2S/c1-2-5-10-12-9-7-4-3-6-8(9)11(14)13-10/h2-7H2,1H3,(H,12,13,14)
InChIKeyJNWGIWLYZKNEDC-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.97
Rot. Bonds2

About 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477104) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477104
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C11H16N2S/c1-2-5-10-12-9-7-4-3-6-8(9)11(14)13-10/h2-7H2,1H3,(H,12,13,14)
InChIKeyJNWGIWLYZKNEDC-UHFFFAOYSA-N
XLogP2.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-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

2-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 7541200
quinazoline-4(1H)-thione, 5,6,7,8-tetrahydro-2-methyl-
CID 17324452
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477108
2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477133
2-Methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 18740813
Ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 91507278
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865
2,4-Dimethyl-1,4,5,6,7,8-hexahydroquinazoline
CID 117839128
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
6-Ethyl-2-isopropyl-5-methyl-pyrimidine-4-thiol
CID 94077030
2,5-diethyl-6-methyl-1H-pyrimidine-4-thione
CID 94077050
2-tert-butyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476826

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477104) is 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CCCc1nc(=S)c2c([nH]1)CCCC2.
What is the InChIKey of 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is JNWGIWLYZKNEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-5-10-12-9-7-4-3-6-8(9)11(14)13-10/h2-7H2,1H3,(H,12,13,14).
What are the key properties of 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 208.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).