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

C15H22N2S — CID 106477128

IUPAC2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESS=c1nc(C2CCCCCC2)[nH]c2c1CCCC2
InChIInChI=1S/C15H22N2S/c18-15-12-9-5-6-10-13(12)16-14(17-15)11-7-3-1-2-4-8-11/h11H,1-10H2,(H,16,17,18)
InChIKeyHPMFODRXVKVWMI-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.46
Rot. Bonds1

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

2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477128) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477128
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESS=c1nc(C2CCCCCC2)[nH]c2c1CCCC2
InChIInChI=1S/C15H22N2S/c18-15-12-9-5-6-10-13(12)16-14(17-15)11-7-3-1-2-4-8-11/h11H,1-10H2,(H,16,17,18)
InChIKeyHPMFODRXVKVWMI-UHFFFAOYSA-N
XLogP4.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cycloheptyl-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-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 114217014
3,7,8-Trimethyl-3,4,5,5a,6,9-hexahydropyrido[2,3-b][1,8]naphthyridin-2-amine
CID 90961072
(7R)-2,4,4,7-tetramethyl-5,6,7,8-tetrahydro-1H-quinazoline
CID 21793392
2-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-cycloheptyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475348
6-tert-butyl-2-cycloheptyl-1H-pyrimidine-4-thione
CID 106475855
2-cycloheptyl-6-ethyl-1H-pyrimidine-4-thione
CID 106476110
2-cycloheptyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476633
5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106476827
5-ethyl-2-(4-ethylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476831
2-cycloheptyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476871
5-ethyl-6-methyl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
CID 106476911

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477128) is 2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is S=c1nc(C2CCCCCC2)[nH]c2c1CCCC2.
What is the InChIKey of 2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is HPMFODRXVKVWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c18-15-12-9-5-6-10-13(12)16-14(17-15)11-7-3-1-2-4-8-11/h11H,1-10H2,(H,16,17,18).
What are the key properties of 2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 262.42 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).