4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione

C14H20N4S — CID 167998765

IUPAC4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione
SMILESCCN(CC)CC/N=C1\NC(=S)N=C2C=CC=CC21
InChIInChI=1S/C14H20N4S/c1-3-18(4-2)10-9-15-13-11-7-5-6-8-12(11)16-14(19)17-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17,19)
InChIKeySKVIGLHWZBBDDF-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.80
Rot. Bonds5

About 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione

4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione (PubChem CID 167998765) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione
PubChem CID167998765
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione
SMILESCCN(CC)CC/N=C1\NC(=S)N=C2C=CC=CC21
InChIInChI=1S/C14H20N4S/c1-3-18(4-2)10-9-15-13-11-7-5-6-8-12(11)16-14(19)17-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17,19)
InChIKeySKVIGLHWZBBDDF-UHFFFAOYSA-N
XLogP1.80
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-prop-2-enylimino-4aH-quinazoline-2-thione
CID 156589630
4-[3-(4-methylpiperidin-1-yl)propylimino]-4aH-quinazoline-2-thione
CID 156591266
4-butan-2-ylimino-4aH-quinazoline-2-thione
CID 167997483
4-butylimino-4aH-quinazoline-2-thione
CID 167997594
4-[3-(4-ethylpiperazin-1-yl)propylimino]-4aH-quinazoline-2-thione
CID 167997864
N-[2-[(2-sulfanylidene-4aH-quinazolin-4-ylidene)amino]ethyl]acetamide
CID 167998401
4-propan-2-ylimino-4aH-quinazoline-2-thione
CID 167998473
4-[2-(2-methylpiperidin-1-yl)ethylimino]-4aH-quinazoline-2-thione
CID 167999820
4-[2-[butyl(methyl)amino]ethylimino]-4aH-quinazoline-2-thione
CID 167999899
4-[2-(4-methylpiperidin-1-yl)ethylimino]-4aH-quinazoline-2-thione
CID 167999934

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione?
The IUPAC name of 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione (CID 167998765) is 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione.
What is the SMILES notation for 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione?
The canonical SMILES for 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione is CCN(CC)CC/N=C1\NC(=S)N=C2C=CC=CC21.
What is the InChIKey of 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione?
The InChIKey is SKVIGLHWZBBDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-18(4-2)10-9-15-13-11-7-5-6-8-12(11)16-14(19)17-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17,19).
What are the key properties of 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione?
4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione has a molecular weight of 276.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylimino]-4aH-quinazoline-2-thione is sourced from PubChem (CID 167998765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).