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

C13H12N2OS — CID 6137347

IUPAC(2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1
InChIInChI=1S/C13H12N2OS/c1-9-2-4-10(5-3-9)8-11-12(16)15-7-6-14-13(15)17-11/h2-5,8H,6-7H2,1H3/b11-8-
InChIKeyCKRCPIRIKCZFPZ-FLIBITNWSA-N
MW244.32 g/mol
LogP0.68
Rot. Bonds1

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

(2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 6137347) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is (2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID6137347
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name(2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1
InChIInChI=1S/C13H12N2OS/c1-9-2-4-10(5-3-9)8-11-12(16)15-7-6-14-13(15)17-11/h2-5,8H,6-7H2,1H3/b11-8-
InChIKeyCKRCPIRIKCZFPZ-FLIBITNWSA-N
XLogP0.68
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 6137347) is (2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is Cc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1.
What is the InChIKey of (2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is CKRCPIRIKCZFPZ-FLIBITNWSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9-2-4-10(5-3-9)8-11-12(16)15-7-6-14-13(15)17-11/h2-5,8H,6-7H2,1H3/b11-8-.
What are the key properties of (2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 244.32 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 6137347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).