3-cyclopropylquinazoline-4-thione

C11H10N2S — CID 102039201

IUPAC3-cyclopropylquinazoline-4-thione
SMILESS=c1c2ccccc2ncn1C1CC1
InChIInChI=1S/C11H10N2S/c14-11-9-3-1-2-4-10(9)12-7-13(11)8-5-6-8/h1-4,7-8H,5-6H2
InChIKeyOGPNWYWNKQJXLP-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.10
Rot. Bonds1

About 3-cyclopropylquinazoline-4-thione

3-cyclopropylquinazoline-4-thione (PubChem CID 102039201) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-cyclopropylquinazoline-4-thione.

Molecular Properties

Compound Name3-cyclopropylquinazoline-4-thione
PubChem CID102039201
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name3-cyclopropylquinazoline-4-thione
SMILESS=c1c2ccccc2ncn1C1CC1
InChIInChI=1S/C11H10N2S/c14-11-9-3-1-2-4-10(9)12-7-13(11)8-5-6-8/h1-4,7-8H,5-6H2
InChIKeyOGPNWYWNKQJXLP-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.10
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-cyclopropylquinazoline-4-thione?
The IUPAC name of 3-cyclopropylquinazoline-4-thione (CID 102039201) is 3-cyclopropylquinazoline-4-thione.
What is the SMILES notation for 3-cyclopropylquinazoline-4-thione?
The canonical SMILES for 3-cyclopropylquinazoline-4-thione is S=c1c2ccccc2ncn1C1CC1.
What is the InChIKey of 3-cyclopropylquinazoline-4-thione?
The InChIKey is OGPNWYWNKQJXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c14-11-9-3-1-2-4-10(9)12-7-13(11)8-5-6-8/h1-4,7-8H,5-6H2.
What are the key properties of 3-cyclopropylquinazoline-4-thione?
3-cyclopropylquinazoline-4-thione has a molecular weight of 202.28 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylquinazoline-4-thione is sourced from PubChem (CID 102039201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).