(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone

C21H12F3N5OS — CID 155567812

IUPAC(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESO=C(c1cn(-c2ccc(C(F)(F)F)cc2)nn1)c1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C21H12F3N5OS/c22-21(23,24)14-6-8-15(9-7-14)29-12-16(26-27-29)19(30)18-17(13-4-2-1-3-5-13)25-20-28(18)10-11-31-20/h1-12H
InChIKeyLIBOWHOYJQWDLY-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.89
Rot. Bonds4

About (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone

(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone (PubChem CID 155567812) has the molecular formula C21H12F3N5OS and a molecular weight of 439.42 g/mol. Its IUPAC name is (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone
PubChem CID155567812
Molecular FormulaC21H12F3N5OS
Molecular Weight439.42 g/mol
Exact Mass439.07
IUPAC Name(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESO=C(c1cn(-c2ccc(C(F)(F)F)cc2)nn1)c1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C21H12F3N5OS/c22-21(23,24)14-6-8-15(9-7-14)29-12-16(26-27-29)19(30)18-17(13-4-2-1-3-5-13)25-20-28(18)10-11-31-20/h1-12H
InChIKeyLIBOWHOYJQWDLY-UHFFFAOYSA-N
XLogP4.89
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The IUPAC name of (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone (CID 155567812) is (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone.
What is the SMILES notation for (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The canonical SMILES for (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone is O=C(c1cn(-c2ccc(C(F)(F)F)cc2)nn1)c1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The InChIKey is LIBOWHOYJQWDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N5OS/c22-21(23,24)14-6-8-15(9-7-14)29-12-16(26-27-29)19(30)18-17(13-4-2-1-3-5-13)25-20-28(18)10-11-31-20/h1-12H.
What are the key properties of (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone has a molecular weight of 439.42 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone is sourced from PubChem (CID 155567812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).