(6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

C12H10N2OS — CID 6449135

IUPAC(6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2ccccc2)N=C2SCCN12
InChIInChI=1S/C12H10N2OS/c15-11-10(8-9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h1-5,8H,6-7H2/b10-8+
InChIKeyPOWPUTAMMJNEFI-CSKARUKUSA-N
MW230.29 g/mol
LogP1.97
Rot. Bonds1

About (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

(6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 6449135) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name(6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID6449135
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name(6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2ccccc2)N=C2SCCN12
InChIInChI=1S/C12H10N2OS/c15-11-10(8-9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h1-5,8H,6-7H2/b10-8+
InChIKeyPOWPUTAMMJNEFI-CSKARUKUSA-N
XLogP1.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzylidene-2-(1-pyrrolidinyl)-1,3-thiazol-4(5H)-one
CID 692025
(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 694255
5-(2,6-dichlorobenzylidene)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6(5H)-one
CID 851058
5-(4-chlorobenzylidene)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6(5H)-one
CID 1235692
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
5-(2-chlorobenzylidene)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6(5H)-one
CID 851056
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 4639110
5-benzylidene-2-(ethylsulfanyl)-3,5-dihydro-4H-imidazol-4-one
CID 135401364
2-(4-Fluorobenzylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3(2H)-one
CID 725549
3-phenyl-5H-imidazo[2,1-b][1,3]thiazol-6-one
CID 76310855

Frequently Asked Questions

What is the IUPAC name of (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 6449135) is (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is O=C1/C(=C\c2ccccc2)N=C2SCCN12.
What is the InChIKey of (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is POWPUTAMMJNEFI-CSKARUKUSA-N. The full InChI is InChI=1S/C12H10N2OS/c15-11-10(8-9-4-2-1-3-5-9)13-12-14(11)6-7-16-12/h1-5,8H,6-7H2/b10-8+.
What are the key properties of (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
(6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 230.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-benzylidene-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 6449135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).