2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione

C15H23N3OS — CID 106477317

IUPAC2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCC(C)N1CCOC(c2nc(=S)c3c([nH]2)CCCC3)C1
InChIInChI=1S/C15H23N3OS/c1-10(2)18-7-8-19-13(9-18)14-16-12-6-4-3-5-11(12)15(20)17-14/h10,13H,3-9H2,1-2H3,(H,16,17,20)
InChIKeyMGNSOGNMEIWALP-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.80
Rot. Bonds2

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

2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (PubChem CID 106477317) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
PubChem CID106477317
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
SMILESCC(C)N1CCOC(c2nc(=S)c3c([nH]2)CCCC3)C1
InChIInChI=1S/C15H23N3OS/c1-10(2)18-7-8-19-13(9-18)14-16-12-6-4-3-5-11(12)15(20)17-14/h10,13H,3-9H2,1-2H3,(H,16,17,20)
InChIKeyMGNSOGNMEIWALP-UHFFFAOYSA-N
XLogP2.80
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475291
5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476813
5-ethyl-6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476834
5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106477029
5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106477067
2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477092
2-(propoxymethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477110
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477130
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-(1-ethoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477178
2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477210

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione (CID 106477317) is 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione.
What is the SMILES notation for 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The canonical SMILES for 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is CC(C)N1CCOC(c2nc(=S)c3c([nH]2)CCCC3)C1.
What is the InChIKey of 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
The InChIKey is MGNSOGNMEIWALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10(2)18-7-8-19-13(9-18)14-16-12-6-4-3-5-11(12)15(20)17-14/h10,13H,3-9H2,1-2H3,(H,16,17,20).
What are the key properties of 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione?
2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione has a molecular weight of 293.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione is sourced from PubChem (CID 106477317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).