2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C15H22N2S — CID 106477266

IUPAC2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCC1CCC(c2nc(=S)c3c([nH]2)CCCC3)C1
InChIInChI=1S/C15H22N2S/c1-2-10-7-8-11(9-10)14-16-13-6-4-3-5-12(13)15(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyFCKFWCYXTSPTOW-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.31
Rot. Bonds2

About 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477266) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477266
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCC1CCC(c2nc(=S)c3c([nH]2)CCCC3)C1
InChIInChI=1S/C15H22N2S/c1-2-10-7-8-11(9-10)14-16-13-6-4-3-5-12(13)15(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyFCKFWCYXTSPTOW-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477266) is 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CCC1CCC(c2nc(=S)c3c([nH]2)CCCC3)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is FCKFWCYXTSPTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-2-10-7-8-11(9-10)14-16-13-6-4-3-5-12(13)15(18)17-14/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 262.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).