(2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

C13H12N2OS — CID 14950683

IUPAC(2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2ccccc2)N=C2SCCCN12
InChIInChI=1S/C13H12N2OS/c16-12-11(9-10-5-2-1-3-6-10)14-13-15(12)7-4-8-17-13/h1-3,5-6,9H,4,7-8H2/b11-9-
InChIKeyVPVLVCLXJKWFTA-LUAWRHEFSA-N
MW244.32 g/mol
LogP2.36
Rot. Bonds1

About (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

(2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (PubChem CID 14950683) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.

Molecular Properties

Compound Name(2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
PubChem CID14950683
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
SMILESO=C1/C(=C/c2ccccc2)N=C2SCCCN12
InChIInChI=1S/C13H12N2OS/c16-12-11(9-10-5-2-1-3-6-10)14-13-15(12)7-4-8-17-13/h1-3,5-6,9H,4,7-8H2/b11-9-
InChIKeyVPVLVCLXJKWFTA-LUAWRHEFSA-N
XLogP2.36
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one with MolForge

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Related Compounds

2-Benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197604
3-Ethyl-2-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197607
5-benzylidene-3-methyl-2-(methylsulfanyl)-3,5-dihydro-4H-imidazol-4-one
CID 1781845
2-[(4E)-1-ethyl-4-[(4-fluorophenyl)methylidene]-5-oxoimidazol-2-yl]sulfanyl-N-propylacetamide
CID 1820042
2-{[1-allyl-4-(4-methylbenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-propylacetamide
CID 1820073
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
CID 3609825
7-[[Bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4782338
3-Ethyl-2-[(3-fluorophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197606
2-Benzylthio-3-methyl-pyrimidon(4)
CID 259151
7-[(4-benzyl-1-piperidinyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2556517
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 4639110
Imidazo(2,1-b)thiazol-5(6H)-one, 2,3-dihydro-6-(phenylmethylene)-
CID 6449135

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The IUPAC name of (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one (CID 14950683) is (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one.
What is the SMILES notation for (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The canonical SMILES for (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is O=C1/C(=C/c2ccccc2)N=C2SCCCN12.
What is the InChIKey of (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
The InChIKey is VPVLVCLXJKWFTA-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-12-11(9-10-5-2-1-3-6-10)14-13-15(12)7-4-8-17-13/h1-3,5-6,9H,4,7-8H2/b11-9-.
What are the key properties of (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one?
(2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one has a molecular weight of 244.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is sourced from PubChem (CID 14950683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).