4-propyl-3,4-dihydro-1H-quinazoline-2-thione

C11H14N2S — CID 130014956

IUPAC4-propyl-3,4-dihydro-1H-quinazoline-2-thione
SMILESCCCC1NC(=S)Nc2ccccc21
InChIInChI=1S/C11H14N2S/c1-2-5-9-8-6-3-4-7-10(8)13-11(14)12-9/h3-4,6-7,9H,2,5H2,1H3,(H2,12,13,14)
InChIKeyZEJOEEKJOGPQNE-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.83
Rot. Bonds2

About 4-propyl-3,4-dihydro-1H-quinazoline-2-thione

4-propyl-3,4-dihydro-1H-quinazoline-2-thione (PubChem CID 130014956) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-propyl-3,4-dihydro-1H-quinazoline-2-thione.

Molecular Properties

Compound Name4-propyl-3,4-dihydro-1H-quinazoline-2-thione
PubChem CID130014956
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-propyl-3,4-dihydro-1H-quinazoline-2-thione
SMILESCCCC1NC(=S)Nc2ccccc21
InChIInChI=1S/C11H14N2S/c1-2-5-9-8-6-3-4-7-10(8)13-11(14)12-9/h3-4,6-7,9H,2,5H2,1H3,(H2,12,13,14)
InChIKeyZEJOEEKJOGPQNE-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 4-propyl-3,4-dihydro-1H-quinazoline-2-thione?
The IUPAC name of 4-propyl-3,4-dihydro-1H-quinazoline-2-thione (CID 130014956) is 4-propyl-3,4-dihydro-1H-quinazoline-2-thione.
What is the SMILES notation for 4-propyl-3,4-dihydro-1H-quinazoline-2-thione?
The canonical SMILES for 4-propyl-3,4-dihydro-1H-quinazoline-2-thione is CCCC1NC(=S)Nc2ccccc21.
What is the InChIKey of 4-propyl-3,4-dihydro-1H-quinazoline-2-thione?
The InChIKey is ZEJOEEKJOGPQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-5-9-8-6-3-4-7-10(8)13-11(14)12-9/h3-4,6-7,9H,2,5H2,1H3,(H2,12,13,14).
What are the key properties of 4-propyl-3,4-dihydro-1H-quinazoline-2-thione?
4-propyl-3,4-dihydro-1H-quinazoline-2-thione has a molecular weight of 206.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-3,4-dihydro-1H-quinazoline-2-thione is sourced from PubChem (CID 130014956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).