2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C11H16N2OS — CID 106477233

IUPAC2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCOCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C11H16N2OS/c1-2-14-7-10-12-9-6-4-3-5-8(9)11(15)13-10/h2-7H2,1H3,(H,12,13,15)
InChIKeyPTVIVTHZNRCREN-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.55
Rot. Bonds3

About 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477233) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477233
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCCOCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C11H16N2OS/c1-2-14-7-10-12-9-6-4-3-5-8(9)11(15)13-10/h2-7H2,1H3,(H,12,13,15)
InChIKeyPTVIVTHZNRCREN-UHFFFAOYSA-N
XLogP2.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.55
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-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477179
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477214
2-(2,2,2-Trifluoroethoxymethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477469
2-(2,2,3,3-Tetrafluoropropoxymethyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478693
2-(2,2,2-Trifluoroethoxymethyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478729
2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 113839181
5-ethyl-6-methyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106476849
2-(1-ethoxyethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476912
2-(1-ethoxypropyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476923
5-ethyl-2-(1-methoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476926
2-(ethoxymethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476982
2-(1-ethoxybutyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476997

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477233) is 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CCOCc1nc(=S)c2c([nH]1)CCCC2.
What is the InChIKey of 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is PTVIVTHZNRCREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-14-7-10-12-9-6-4-3-5-8(9)11(15)13-10/h2-7H2,1H3,(H,12,13,15).
What are the key properties of 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).