2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C14H23N3S — CID 106477180

IUPAC2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCN(CC)CCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C14H23N3S/c1-3-17(4-2)10-9-13-15-12-8-6-5-7-11(12)14(18)16-13/h3-10H2,1-2H3,(H,15,16,18)
InChIKeyNQXCYTITVKWXGN-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477180) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477180
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCN(CC)CCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C14H23N3S/c1-3-17(4-2)10-9-13-15-12-8-6-5-7-11(12)14(18)16-13/h3-10H2,1-2H3,(H,15,16,18)
InChIKeyNQXCYTITVKWXGN-UHFFFAOYSA-N
XLogP2.90
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,6,7,8,9,10-octahydro-1H-azepino[2,1-b]quinazoline-12-thione
CID 13911967
quinazoline-4(1H)-thione, 5,6,7,8-tetrahydro-2-methyl-
CID 17324452
2-Methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 18740813
Ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 91507278
2-[2-(diethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476931
2-[2-(dimethylamino)ethyl]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476950
2-tert-butyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477083
2-propyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477104
2-(3-methylbutyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477109
2-(cyclopropylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477120
2-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477127
2-cyclopropyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477153

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477180) is 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CCN(CC)CCc1nc(=S)c2c([nH]1)CCCC2.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is NQXCYTITVKWXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-3-17(4-2)10-9-13-15-12-8-6-5-7-11(12)14(18)16-13/h3-10H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 265.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).