5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C15H9F3N4OS — CID 134798242

IUPAC5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESN#Cc1cccc(-c2c(C(=O)NCC(F)(F)F)nc3sccn23)c1
InChIInChI=1S/C15H9F3N4OS/c16-15(17,18)8-20-13(23)11-12(22-4-5-24-14(22)21-11)10-3-1-2-9(6-10)7-19/h1-6H,8H2,(H,20,23)
InChIKeyZWJBICCNPHCORY-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.23
Rot. Bonds3

About 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134798242) has the molecular formula C15H9F3N4OS and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134798242
Molecular FormulaC15H9F3N4OS
Molecular Weight350.33 g/mol
Exact Mass350.04
IUPAC Name5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESN#Cc1cccc(-c2c(C(=O)NCC(F)(F)F)nc3sccn23)c1
InChIInChI=1S/C15H9F3N4OS/c16-15(17,18)8-20-13(23)11-12(22-4-5-24-14(22)21-11)10-3-1-2-9(6-10)7-19/h1-6H,8H2,(H,20,23)
InChIKeyZWJBICCNPHCORY-UHFFFAOYSA-N
XLogP3.23
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-cyanophenyl)-N-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798139
N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797818
N-(2-phenylethyl)-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799295
5-(3-methoxyphenyl)-N-(3-phenylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795862
N-(3-methoxypropyl)-5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797519
5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800225
N-[(4-chlorophenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800377
N-[(2-fluorophenyl)methyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798388
N-[2-(2-fluorophenyl)ethyl]-5-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797411
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]benzonitrile
CID 43762471
3-[5-[2-(piperidin-4-ylamino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]benzonitrile
CID 57433738
4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile
CID 15005409

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134798242) is 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is N#Cc1cccc(-c2c(C(=O)NCC(F)(F)F)nc3sccn23)c1.
What is the InChIKey of 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is ZWJBICCNPHCORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4OS/c16-15(17,18)8-20-13(23)11-12(22-4-5-24-14(22)21-11)10-3-1-2-9(6-10)7-19/h1-6H,8H2,(H,20,23).
What are the key properties of 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134798242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).