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

C17H26N2S — CID 106477265

IUPAC2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCCC1CCC(c2nc(=S)c3c([nH]2)CCCC3)CC1
InChIInChI=1S/C17H26N2S/c1-2-5-12-8-10-13(11-9-12)16-18-15-7-4-3-6-14(15)17(20)19-16/h12-13H,2-11H2,1H3,(H,18,19,20)
InChIKeyMODBVCTXSAPIII-UHFFFAOYSA-N
MW290.48 g/mol
LogP5.09
Rot. Bonds3

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

2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477265) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477265
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCCC1CCC(c2nc(=S)c3c([nH]2)CCCC3)CC1
InChIInChI=1S/C17H26N2S/c1-2-5-12-8-10-13(11-9-12)16-18-15-7-4-3-6-14(15)17(20)19-16/h12-13H,2-11H2,1H3,(H,18,19,20)
InChIKeyMODBVCTXSAPIII-UHFFFAOYSA-N
XLogP5.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475055
2-(4-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128
2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475152
2-(4-tert-butylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475200
6-propyl-2-(4-propylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475237
2-(3-ethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475279
2-(4-ethylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475310
6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475386
2-(4-tert-butylcyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475453

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477265) is 2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CCCC1CCC(c2nc(=S)c3c([nH]2)CCCC3)CC1.
What is the InChIKey of 2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is MODBVCTXSAPIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-2-5-12-8-10-13(11-9-12)16-18-15-7-4-3-6-14(15)17(20)19-16/h12-13H,2-11H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 290.48 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylcyclohexyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).