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

C12H9BrN2OS — CID 762107

IUPAC(2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1/c(=C\c2ccc(Br)cc2)sc2n1CCN=2
InChIInChI=1S/C12H9BrN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,7H,5-6H2/b10-7+
InChIKeyFZTJQFHWRYULMQ-JXMROGBWSA-N
MW309.19 g/mol
LogP1.13
Rot. Bonds1

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

(2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 762107) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is (2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID762107
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC Name(2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESO=c1/c(=C\c2ccc(Br)cc2)sc2n1CCN=2
InChIInChI=1S/C12H9BrN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,7H,5-6H2/b10-7+
InChIKeyFZTJQFHWRYULMQ-JXMROGBWSA-N
XLogP1.13
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 762107) is (2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is O=c1/c(=C\c2ccc(Br)cc2)sc2n1CCN=2.
What is the InChIKey of (2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is FZTJQFHWRYULMQ-JXMROGBWSA-N. The full InChI is InChI=1S/C12H9BrN2OS/c13-9-3-1-8(2-4-9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,7H,5-6H2/b10-7+.
What are the key properties of (2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
(2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 309.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-bromophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 762107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).