furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone

C18H20N2O2S — CID 2475886

IUPACfuran-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCC(C)c1ccccc1/N=C1\SCCCN1C(=O)c1ccco1
InChIInChI=1S/C18H20N2O2S/c1-13(2)14-7-3-4-8-15(14)19-18-20(10-6-12-23-18)17(21)16-9-5-11-22-16/h3-5,7-9,11,13H,6,10,12H2,1-2H3/b19-18-
InChIKeyNMEMEHVGGOVBHQ-HNENSFHCSA-N
MW328.44 g/mol
LogP4.67
Rot. Bonds3

About furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone

furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone (PubChem CID 2475886) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone
PubChem CID2475886
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Namefuran-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCC(C)c1ccccc1/N=C1\SCCCN1C(=O)c1ccco1
InChIInChI=1S/C18H20N2O2S/c1-13(2)14-7-3-4-8-15(14)19-18-20(10-6-12-23-18)17(21)16-9-5-11-22-16/h3-5,7-9,11,13H,6,10,12H2,1-2H3/b19-18-
InChIKeyNMEMEHVGGOVBHQ-HNENSFHCSA-N
XLogP4.67
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-4-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinane-3-carbonyl]benzenesulfonamide
CID 16592422
3-(1,3-benzodioxol-5-yl)-1-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]propan-1-one
CID 18277480
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 53013851
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
3-(furan-2-yl)-1-(2-phenylimino-1,3-thiazinan-3-yl)prop-2-en-1-one
CID 3383732
[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone
CID 7921363
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7687984
2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004698
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylbutanamide
CID 7517311
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone?
The IUPAC name of furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone (CID 2475886) is furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone.
What is the SMILES notation for furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone?
The canonical SMILES for furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone is CC(C)c1ccccc1/N=C1\SCCCN1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone?
The InChIKey is NMEMEHVGGOVBHQ-HNENSFHCSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13(2)14-7-3-4-8-15(14)19-18-20(10-6-12-23-18)17(21)16-9-5-11-22-16/h3-5,7-9,11,13H,6,10,12H2,1-2H3/b19-18-.
What are the key properties of furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone?
furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone has a molecular weight of 328.44 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinan-3-yl]methanone is sourced from PubChem (CID 2475886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).