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

C7H3F3N2OS — CID 82392826

IUPAC7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1cn2cnc(C(F)(F)F)c2s1
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)5-6-12(3-11-5)1-4(2-13)14-6/h1-3H
InChIKeyWOPNKDKQKRGALI-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.23
Rot. Bonds1

About 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde

7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde (PubChem CID 82392826) has the molecular formula C7H3F3N2OS and a molecular weight of 220.18 g/mol. Its IUPAC name is 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde.

Molecular Properties

Compound Name7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde
PubChem CID82392826
Molecular FormulaC7H3F3N2OS
Molecular Weight220.18 g/mol
Exact Mass219.99
IUPAC Name7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde
SMILESO=Cc1cn2cnc(C(F)(F)F)c2s1
InChIInChI=1S/C7H3F3N2OS/c8-7(9,10)5-6-12(3-11-5)1-4(2-13)14-6/h1-3H
InChIKeyWOPNKDKQKRGALI-UHFFFAOYSA-N
XLogP2.23
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.23
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 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
The IUPAC name of 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde (CID 82392826) is 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde is O=Cc1cn2cnc(C(F)(F)F)c2s1.
What is the InChIKey of 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
The InChIKey is WOPNKDKQKRGALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2OS/c8-7(9,10)5-6-12(3-11-5)1-4(2-13)14-6/h1-3H.
What are the key properties of 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde has a molecular weight of 220.18 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-2-carbaldehyde is sourced from PubChem (CID 82392826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).