2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C12H16N2S — CID 106477120

IUPAC2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESS=c1nc(CC2CC2)[nH]c2c1CCCC2
InChIInChI=1S/C12H16N2S/c15-12-9-3-1-2-4-10(9)13-11(14-12)7-8-5-6-8/h8H,1-7H2,(H,13,14,15)
InChIKeyQZTUAVKWRCNJSZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.97
Rot. Bonds2

About 2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477120) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477120
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESS=c1nc(CC2CC2)[nH]c2c1CCCC2
InChIInChI=1S/C12H16N2S/c15-12-9-3-1-2-4-10(9)13-11(14-12)7-8-5-6-8/h8H,1-7H2,(H,13,14,15)
InChIKeyQZTUAVKWRCNJSZ-UHFFFAOYSA-N
XLogP2.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
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-(cyclopropylmethyl)-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

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-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 114217014
2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475085
2-(2-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475282
5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106476827
5-ethyl-6-methyl-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106476848
2-(cyclopropylmethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476860
2-cyclohexyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476932
5-ethyl-6-methyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106477058
2-cyclopentyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477078

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477120) is 2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is S=c1nc(CC2CC2)[nH]c2c1CCCC2.
What is the InChIKey of 2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is QZTUAVKWRCNJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c15-12-9-3-1-2-4-10(9)13-11(14-12)7-8-5-6-8/h8H,1-7H2,(H,13,14,15).
What are the key properties of 2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 220.34 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-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).