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

C12H9ClN2OS — CID 1235692

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
SMILESO=C1N=C2SCCN2/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)14-12-15(10)5-6-17-12/h1-4,7H,5-6H2/b10-7-
InChIKeyIWSSVBLSEOKVMQ-YFHOEESVSA-N
MW264.74 g/mol
LogP2.63
Rot. Bonds1

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

(5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one (PubChem CID 1235692) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
PubChem CID1235692
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
SMILESO=C1N=C2SCCN2/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)14-12-15(10)5-6-17-12/h1-4,7H,5-6H2/b10-7-
InChIKeyIWSSVBLSEOKVMQ-YFHOEESVSA-N
XLogP2.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one (CID 1235692) is (5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one is O=C1N=C2SCCN2/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
The InChIKey is IWSSVBLSEOKVMQ-YFHOEESVSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)14-12-15(10)5-6-17-12/h1-4,7H,5-6H2/b10-7-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one has a molecular weight of 264.74 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one is sourced from PubChem (CID 1235692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).