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

C12H19N3S — CID 106477199

IUPAC2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCN(C)CCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C12H19N3S/c1-15(2)8-7-11-13-10-6-4-3-5-9(10)12(16)14-11/h3-8H2,1-2H3,(H,13,14,16)
InChIKeyMMLAALOWMZSBGB-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.12
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477199) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477199
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCN(C)CCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C12H19N3S/c1-15(2)8-7-11-13-10-6-4-3-5-9(10)12(16)14-11/h3-8H2,1-2H3,(H,13,14,16)
InChIKeyMMLAALOWMZSBGB-UHFFFAOYSA-N
XLogP2.12
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.12
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-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477199) is 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CN(C)CCc1nc(=S)c2c([nH]1)CCCC2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is MMLAALOWMZSBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15(2)8-7-11-13-10-6-4-3-5-9(10)12(16)14-11/h3-8H2,1-2H3,(H,13,14,16).
What are the key properties of 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 237.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).