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

C13H20N2O2S — CID 106477142

IUPAC2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCOCCOCCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C13H20N2O2S/c1-16-8-9-17-7-6-12-14-11-5-3-2-4-10(11)13(18)15-12/h2-9H2,1H3,(H,14,15,18)
InChIKeyPHIIENQIOUARAQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.22
Rot. Bonds6

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

2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477142) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477142
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCOCCOCCc1nc(=S)c2c([nH]1)CCCC2
InChIInChI=1S/C13H20N2O2S/c1-16-8-9-17-7-6-12-14-11-5-3-2-4-10(11)13(18)15-12/h2-9H2,1H3,(H,14,15,18)
InChIKeyPHIIENQIOUARAQ-UHFFFAOYSA-N
XLogP2.22
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477125
2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 113839181
5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106476887
2-(propoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477110
2-(3-methoxypropyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477113
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477147
2-(1-ethoxyethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477166
2-(1-ethoxypropyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477175
2-(2-methoxypropyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477208
2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477210
2-(ethoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477233
2-(1-methoxyethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477238

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477142) is 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is COCCOCCc1nc(=S)c2c([nH]1)CCCC2.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is PHIIENQIOUARAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-16-8-9-17-7-6-12-14-11-5-3-2-4-10(11)13(18)15-12/h2-9H2,1H3,(H,14,15,18).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 268.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).