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

C16H15F3N4OS — CID 53163001

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nn2c(CNC(=O)Cc3cccc(C(F)(F)F)c3)c(C)nc2s1
InChIInChI=1S/C16H15F3N4OS/c1-9-13(23-15(21-9)25-10(2)22-23)8-20-14(24)7-11-4-3-5-12(6-11)16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,24)
InChIKeyKCNMCVBLJFTFLX-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.29
Rot. Bonds4

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

N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 53163001) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID53163001
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1nn2c(CNC(=O)Cc3cccc(C(F)(F)F)c3)c(C)nc2s1
InChIInChI=1S/C16H15F3N4OS/c1-9-13(23-15(21-9)25-10(2)22-23)8-20-14(24)7-11-4-3-5-12(6-11)16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,24)
InChIKeyKCNMCVBLJFTFLX-UHFFFAOYSA-N
XLogP3.29
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.29
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-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 53163001) is N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1nn2c(CNC(=O)Cc3cccc(C(F)(F)F)c3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KCNMCVBLJFTFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c1-9-13(23-15(21-9)25-10(2)22-23)8-20-14(24)7-11-4-3-5-12(6-11)16(17,18)19/h3-6H,7-8H2,1-2H3,(H,20,24).
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 368.38 g/mol, XLogP of 3.29, 4 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53163001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).