3-cyclohexylquinazoline-4-thione

C14H16N2S — CID 102039202

IUPAC3-cyclohexylquinazoline-4-thione
SMILESS=c1c2ccccc2ncn1C1CCCCC1
InChIInChI=1S/C14H16N2S/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
InChIKeyCDLYZWSSHAVCOH-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.27
Rot. Bonds1

About 3-cyclohexylquinazoline-4-thione

3-cyclohexylquinazoline-4-thione (PubChem CID 102039202) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-cyclohexylquinazoline-4-thione.

Molecular Properties

Compound Name3-cyclohexylquinazoline-4-thione
PubChem CID102039202
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name3-cyclohexylquinazoline-4-thione
SMILESS=c1c2ccccc2ncn1C1CCCCC1
InChIInChI=1S/C14H16N2S/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
InChIKeyCDLYZWSSHAVCOH-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-cyclohexylquinazoline-4-thione?
The IUPAC name of 3-cyclohexylquinazoline-4-thione (CID 102039202) is 3-cyclohexylquinazoline-4-thione.
What is the SMILES notation for 3-cyclohexylquinazoline-4-thione?
The canonical SMILES for 3-cyclohexylquinazoline-4-thione is S=c1c2ccccc2ncn1C1CCCCC1.
What is the InChIKey of 3-cyclohexylquinazoline-4-thione?
The InChIKey is CDLYZWSSHAVCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 3-cyclohexylquinazoline-4-thione?
3-cyclohexylquinazoline-4-thione has a molecular weight of 244.36 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylquinazoline-4-thione is sourced from PubChem (CID 102039202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).