2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione

C17H20N2S — CID 694570

IUPAC2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESCC(C)n1c(-c2ccccc2)nc(=S)c2c1CCCC2
InChIInChI=1S/C17H20N2S/c1-12(2)19-15-11-7-6-10-14(15)17(20)18-16(19)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyDJPVGDDXCJKAOT-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.74
Rot. Bonds2

About 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione

2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione (PubChem CID 694570) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione.

Molecular Properties

Compound Name2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione
PubChem CID694570
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione
SMILESCC(C)n1c(-c2ccccc2)nc(=S)c2c1CCCC2
InChIInChI=1S/C17H20N2S/c1-12(2)19-15-11-7-6-10-14(15)17(20)18-16(19)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3
InChIKeyDJPVGDDXCJKAOT-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-allyl-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 945692
1-[3-(Dimethylamino)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4-thione
CID 938946
1-Allyl-7,7-dimethyl-2-phenyl-1,5,7,8-tetrahydro-pyrano[4,3-d]pyrimidine-4-thione
CID 942713
1-isobutyl-2-phenyl-5,6,7,8-tetrahydro-4(1H)-quinazolinethione
CID 713117
1-[3-(morpholin-4-yl)propyl]-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 663906
1-(3-hydroxypropyl)-2-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 1556792
6-hexyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10539875
6-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10684654
7-Methyl-4-phenyl-5-hydropyridino[1,2-a]1,3,5-triazine-2-thione
CID 723642
1-((Methylimino)phenylmethyl)piperidine monohydrochloride
CID 3049212
6-phenyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10515503
6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10559880

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione?
The IUPAC name of 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione (CID 694570) is 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione.
What is the SMILES notation for 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione?
The canonical SMILES for 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione is CC(C)n1c(-c2ccccc2)nc(=S)c2c1CCCC2.
What is the InChIKey of 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione?
The InChIKey is DJPVGDDXCJKAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12(2)19-15-11-7-6-10-14(15)17(20)18-16(19)13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3.
What are the key properties of 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione?
2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione has a molecular weight of 284.43 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propan-2-yl-5,6,7,8-tetrahydroquinazoline-4-thione is sourced from PubChem (CID 694570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).