3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium

C14H15N2S+ — CID 54493427

IUPAC3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCc1csc2[n+]1CCN2C=Cc1ccccc1
InChIInChI=1S/C14H15N2S/c1-12-11-17-14-15(9-10-16(12)14)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/q+1
InChIKeyXXJRXUKUZQEULP-UHFFFAOYSA-N
MW243.36 g/mol
LogP2.83
Rot. Bonds2

About 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium

3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium (PubChem CID 54493427) has the molecular formula C14H15N2S+ and a molecular weight of 243.36 g/mol. Its IUPAC name is 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium.

Molecular Properties

Compound Name3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
PubChem CID54493427
Molecular FormulaC14H15N2S+
Molecular Weight243.36 g/mol
Exact Mass243.10
IUPAC Name3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCc1csc2[n+]1CCN2C=Cc1ccccc1
InChIInChI=1S/C14H15N2S/c1-12-11-17-14-15(9-10-16(12)14)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/q+1
InChIKeyXXJRXUKUZQEULP-UHFFFAOYSA-N
XLogP2.83
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-2-(2-phenylethenyl)-1,3-thiazol-3-ium
CID 59693491
4-[(E)-2-phenylethenyl]thiomorpholine
CID 146169340
1-[(E)-2-phenylethenyl]azepane
CID 146169339
iodomethane;1-[(E)-2-phenylethenyl]piperidine
CID 20839071
(2R)-2-methyl-1-[(E)-2-phenylethenyl]pyrrolidine
CID 134863569
4-methyl-1-(2-phenylethenyl)piperidine
CID 174298455
1-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
CID 39869693
N-methyl-1-(2-phenylethenyl)piperidin-4-amine
CID 174773972
4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione
CID 71425791
4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide
CID 58283179
1-(2-phenylethenyl)pyrrole-2,5-dione
CID 57168936
CID 70569152
CID 70569152

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The IUPAC name of 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium (CID 54493427) is 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium.
What is the SMILES notation for 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The canonical SMILES for 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium is Cc1csc2[n+]1CCN2C=Cc1ccccc1.
What is the InChIKey of 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
The InChIKey is XXJRXUKUZQEULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2S/c1-12-11-17-14-15(9-10-16(12)14)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/q+1.
What are the key properties of 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium?
3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium has a molecular weight of 243.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-phenylethenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium is sourced from PubChem (CID 54493427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).