(6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

C12H9N3O3S — CID 6449138

IUPAC(6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C2SCCN12
InChIInChI=1S/C12H9N3O3S/c16-11-10(13-12-14(11)5-6-19-12)7-8-1-3-9(4-2-8)15(17)18/h1-4,7H,5-6H2/b10-7+
InChIKeyVRZIDGJMVGHLNU-JXMROGBWSA-N
MW275.29 g/mol
LogP1.88
Rot. Bonds2

About (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

(6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (PubChem CID 6449138) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name(6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
PubChem CID6449138
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC Name(6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
SMILESO=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C2SCCN12
InChIInChI=1S/C12H9N3O3S/c16-11-10(13-12-14(11)5-6-19-12)7-8-1-3-9(4-2-8)15(17)18/h1-4,7H,5-6H2/b10-7+
InChIKeyVRZIDGJMVGHLNU-JXMROGBWSA-N
XLogP1.88
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-{4-nitrophenyl}ethyl)sulfanyl]-3-methyl-4(3H)-pyrimidinone
CID 822154
(2E,5E)-5-(4-nitrobenzylidene)-3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylimino)-1,3-thiazolidin-4-one
CID 1897832
(2E,5E)-5-(3-nitrobenzylidene)-3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylimino)-1,3-thiazolidin-4-one
CID 1907267
7-(3-nitrophenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 4909551
3-Methyl-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197576
Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(4-nitrophenyl)-
CID 202108
Nitramisole
CID 163306
(5Z)-3-(2-methylpropyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 70688719
7-(4-nitrophenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 4974274
3-{4-Nitrophenyl}-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 11841693
7H-Imidazo(2,1-b)thiazol-4-ium, 5,6-dihydro-3-(p-nitrophenyl)-, bromide
CID 202107
(Z)-2-(4-nitrobenzylidene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one
CID 912302

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one (CID 6449138) is (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C2SCCN12.
What is the InChIKey of (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
The InChIKey is VRZIDGJMVGHLNU-JXMROGBWSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-11-10(13-12-14(11)5-6-19-12)7-8-1-3-9(4-2-8)15(17)18/h1-4,7H,5-6H2/b10-7+.
What are the key properties of (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one?
(6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one has a molecular weight of 275.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(4-nitrophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 6449138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).