3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride

C8H4ClF3N2OS — CID 125473959

IUPAC3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride
SMILESCc1c(C(F)(F)F)sc2nc(C(=O)Cl)cn12
InChIInChI=1S/C8H4ClF3N2OS/c1-3-5(8(10,11)12)16-7-13-4(6(9)15)2-14(3)7/h2H,1H3
InChIKeyKNKJPHSDGHBSMK-UHFFFAOYSA-N
MW268.65 g/mol
LogP3.10
Rot. Bonds1

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

3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride (PubChem CID 125473959) has the molecular formula C8H4ClF3N2OS and a molecular weight of 268.65 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride
PubChem CID125473959
Molecular FormulaC8H4ClF3N2OS
Molecular Weight268.65 g/mol
Exact Mass267.97
IUPAC Name3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride
SMILESCc1c(C(F)(F)F)sc2nc(C(=O)Cl)cn12
InChIInChI=1S/C8H4ClF3N2OS/c1-3-5(8(10,11)12)16-7-13-4(6(9)15)2-14(3)7/h2H,1H3
InChIKeyKNKJPHSDGHBSMK-UHFFFAOYSA-N
XLogP3.10
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride?
The IUPAC name of 3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride (CID 125473959) is 3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride is Cc1c(C(F)(F)F)sc2nc(C(=O)Cl)cn12.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride?
The InChIKey is KNKJPHSDGHBSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2OS/c1-3-5(8(10,11)12)16-7-13-4(6(9)15)2-14(3)7/h2H,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride?
3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride has a molecular weight of 268.65 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride is sourced from PubChem (CID 125473959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).