2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C8H5F3N2OS — CID 11379300

IUPAC2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cn2c(C=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C8H5F3N2OS/c1-4-2-13-5(3-14)6(8(9,10)11)12-7(13)15-4/h2-3H,1H3
InChIKeyWFBFXUCRDYYMFB-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.54
Rot. Bonds1

About 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 11379300) has the molecular formula C8H5F3N2OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID11379300
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20 g/mol
Exact Mass234.01
IUPAC Name2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1cn2c(C=O)c(C(F)(F)F)nc2s1
InChIInChI=1S/C8H5F3N2OS/c1-4-2-13-5(3-14)6(8(9,10)11)12-7(13)15-4/h2-3H,1H3
InChIKeyWFBFXUCRDYYMFB-UHFFFAOYSA-N
XLogP2.54
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 11379300) is 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1cn2c(C=O)c(C(F)(F)F)nc2s1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is WFBFXUCRDYYMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c1-4-2-13-5(3-14)6(8(9,10)11)12-7(13)15-4/h2-3H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 234.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 11379300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).