N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide

C15H13F3N4OS — CID 53163054

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCc1nn2c(CNC(=O)c3ccccc3C(F)(F)F)c(C)nc2s1
InChIInChI=1S/C15H13F3N4OS/c1-8-12(22-14(20-8)24-9(2)21-22)7-19-13(23)10-5-3-4-6-11(10)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,23)
InChIKeyPWJJEUWRNHZVBY-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.36
Rot. Bonds3

About N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 53163054) has the molecular formula C15H13F3N4OS and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID53163054
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCc1nn2c(CNC(=O)c3ccccc3C(F)(F)F)c(C)nc2s1
InChIInChI=1S/C15H13F3N4OS/c1-8-12(22-14(20-8)24-9(2)21-22)7-19-13(23)10-5-3-4-6-11(10)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,23)
InChIKeyPWJJEUWRNHZVBY-UHFFFAOYSA-N
XLogP3.36
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide (CID 53163054) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide is Cc1nn2c(CNC(=O)c3ccccc3C(F)(F)F)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is PWJJEUWRNHZVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c1-8-12(22-14(20-8)24-9(2)21-22)7-19-13(23)10-5-3-4-6-11(10)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,23).
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 354.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 53163054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).