1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione

C13H15N5S — CID 10802236

IUPAC1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione
SMILESCN(C)CCn1cnc2cc3[nH]cnc(=S)c3cc21
InChIInChI=1S/C13H15N5S/c1-17(2)3-4-18-8-16-11-6-10-9(5-12(11)18)13(19)15-7-14-10/h5-8H,3-4H2,1-2H3,(H,14,15,19)
InChIKeyCDXIIDDNYPGRJQ-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione

1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione (PubChem CID 10802236) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione
PubChem CID10802236
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione
SMILESCN(C)CCn1cnc2cc3[nH]cnc(=S)c3cc21
InChIInChI=1S/C13H15N5S/c1-17(2)3-4-18-8-16-11-6-10-9(5-12(11)18)13(19)15-7-14-10/h5-8H,3-4H2,1-2H3,(H,14,15,19)
InChIKeyCDXIIDDNYPGRJQ-UHFFFAOYSA-N
XLogP2.20
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromoimidazo[4,5-c]pyridin-1-yl)-N,N-dimethylethanamine
CID 59636345
6,7-diethoxy-1H-quinazoline-4-thione
CID 106505559
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]-N-octyloctan-1-amine
CID 134294647
3,7-dipropylimidazo[4,5-f]benzimidazole
CID 46862422
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide
CID 166272190
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole
CID 115582509
5,6-dimethyl-1-nonylbenzimidazole
CID 16994999
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 167866814
3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione;hydrochloride
CID 3053436
5-[[3-[2-(dimethylamino)ethyl]benzimidazol-5-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 136660220
3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 16615175
6-chloro-3-[2-(dimethylamino)ethyl]-5-methoxypyrimidin-4-one
CID 114585412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione (CID 10802236) is 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione is CN(C)CCn1cnc2cc3[nH]cnc(=S)c3cc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione?
The InChIKey is CDXIIDDNYPGRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-17(2)3-4-18-8-16-11-6-10-9(5-12(11)18)13(19)15-7-14-10/h5-8H,3-4H2,1-2H3,(H,14,15,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione?
1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione has a molecular weight of 273.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5H-imidazo[4,5-g]quinazoline-8-thione is sourced from PubChem (CID 10802236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).