2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium

C14H15N2S+ — CID 15062103

IUPAC2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCCc1c[n+]2cc(-c3ccccc3)n(C)c2s1
InChIInChI=1S/C14H15N2S/c1-3-12-9-16-10-13(15(2)14(16)17-12)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/q+1
InChIKeyTZAURBSHFOPDMU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.05
Rot. Bonds2

About 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium

2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium (PubChem CID 15062103) has the molecular formula C14H15N2S+ and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium.

Molecular Properties

Compound Name2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium
PubChem CID15062103
Molecular FormulaC14H15N2S+
Molecular Weight243.35 g/mol
Exact Mass243.10
IUPAC Name2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium
SMILESCCc1c[n+]2cc(-c3ccccc3)n(C)c2s1
InChIInChI=1S/C14H15N2S/c1-3-12-9-16-10-13(15(2)14(16)17-12)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/q+1
InChIKeyTZAURBSHFOPDMU-UHFFFAOYSA-N
XLogP3.05
TPSA9.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.05
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

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(1-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-6-yl) N,N-dimethylcarbamate chloride
CID 146109848
2-(2-amino-3-methyl-4-phenylimidazol-1-ium-1-yl)-1-(4-phenylphenyl)ethanone
CID 4687253
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CID 4242965
2-[4-(4-ethylphenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol
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3-methyl-4-phenyl-1,3-thiazol-2-one
CID 12743054
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
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CID 125482287
2,3-diethyl-1,4-diphenylbenzene
CID 59383229

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium?
The IUPAC name of 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium (CID 15062103) is 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium.
What is the SMILES notation for 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium?
The canonical SMILES for 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium is CCc1c[n+]2cc(-c3ccccc3)n(C)c2s1.
What is the InChIKey of 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium?
The InChIKey is TZAURBSHFOPDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2S/c1-3-12-9-16-10-13(15(2)14(16)17-12)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/q+1.
What are the key properties of 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium?
2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium has a molecular weight of 243.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-4-ium is sourced from PubChem (CID 15062103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).