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

C6H2ClF3N2S — CID 130067175

IUPAC6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1c(Cl)nc2sccn12
InChIInChI=1S/C6H2ClF3N2S/c7-4-3(6(8,9)10)12-1-2-13-5(12)11-4/h1-2H
InChIKeyYPIHEZQSVAWNLV-UHFFFAOYSA-N
MW226.61 g/mol
LogP3.07
Rot. Bonds

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

6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 130067175) has the molecular formula C6H2ClF3N2S and a molecular weight of 226.61 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID130067175
Molecular FormulaC6H2ClF3N2S
Molecular Weight226.61 g/mol
Exact Mass225.96
IUPAC Name6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1c(Cl)nc2sccn12
InChIInChI=1S/C6H2ClF3N2S/c7-4-3(6(8,9)10)12-1-2-13-5(12)11-4/h1-2H
InChIKeyYPIHEZQSVAWNLV-UHFFFAOYSA-N
XLogP3.07
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.61
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole (CID 130067175) is 6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole is FC(F)(F)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is YPIHEZQSVAWNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2S/c7-4-3(6(8,9)10)12-1-2-13-5(12)11-4/h1-2H.
What are the key properties of 6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 226.61 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 130067175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).