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

C22H14F3N5O2S — CID 155561360

IUPAC[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESCOc1ccc(-c2nc3sccn3c2C(=O)c2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1
InChIInChI=1S/C22H14F3N5O2S/c1-32-16-8-2-13(3-9-16)18-19(29-10-11-33-21(29)26-18)20(31)17-12-30(28-27-17)15-6-4-14(5-7-15)22(23,24)25/h2-12H,1H3
InChIKeyQQQNSFARSNXYCI-UHFFFAOYSA-N
MW469.45 g/mol
LogP4.90
Rot. Bonds5

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

[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone (PubChem CID 155561360) has the molecular formula C22H14F3N5O2S and a molecular weight of 469.45 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone
PubChem CID155561360
Molecular FormulaC22H14F3N5O2S
Molecular Weight469.45 g/mol
Exact Mass469.08
IUPAC Name[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone
SMILESCOc1ccc(-c2nc3sccn3c2C(=O)c2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1
InChIInChI=1S/C22H14F3N5O2S/c1-32-16-8-2-13(3-9-16)18-19(29-10-11-33-21(29)26-18)20(31)17-12-30(28-27-17)15-6-4-14(5-7-15)22(23,24)25/h2-12H,1H3
InChIKeyQQQNSFARSNXYCI-UHFFFAOYSA-N
XLogP4.90
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The IUPAC name of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone (CID 155561360) is [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone.
What is the SMILES notation for [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The canonical SMILES for [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone is COc1ccc(-c2nc3sccn3c2C(=O)c2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
The InChIKey is QQQNSFARSNXYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O2S/c1-32-16-8-2-13(3-9-16)18-19(29-10-11-33-21(29)26-18)20(31)17-12-30(28-27-17)15-6-4-14(5-7-15)22(23,24)25/h2-12H,1H3.
What are the key properties of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone?
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone has a molecular weight of 469.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanone is sourced from PubChem (CID 155561360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).