2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C10H14N2S — CID 106477221

IUPAC2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C10H14N2S/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h2-6H2,1H3,(H,11,12,13)
InChIKeySADRXCLDQIJKEV-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.58
Rot. Bonds1

About 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477221) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477221
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C10H14N2S/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h2-6H2,1H3,(H,11,12,13)
InChIKeySADRXCLDQIJKEV-UHFFFAOYSA-N
XLogP2.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 7541200
quinazoline-4(1H)-thione, 5,6,7,8-tetrahydro-2-methyl-
CID 17324452
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477108
2-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477133
2-(2,2,2-Trifluoroethyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478625
2-(3,3,3-Trifluoropropyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478653
2-Methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 18740813
Ethane;2-methyl-1,4,5,6,7,8-hexahydroquinazoline
CID 91507278
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
2,5-diethyl-6-methyl-1H-pyrimidine-4-thione
CID 94077050
2,6-diethyl-5-methyl-1H-pyrimidine-4-thione
CID 94077051
5-ethyl-6-methyl-2-(4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106476827

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477221) is 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CCc1nc(=S)c2c([nH]1)CCCC2.
What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is SADRXCLDQIJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h2-6H2,1H3,(H,11,12,13).
What are the key properties of 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 194.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).