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

C16H15F3N4OS — CID 53163084

IUPACN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCCc1nn2c(CNC(=O)c3cccc(C(F)(F)F)c3)c(C)nc2s1
InChIInChI=1S/C16H15F3N4OS/c1-3-13-22-23-12(9(2)21-15(23)25-13)8-20-14(24)10-5-4-6-11(7-10)16(17,18)19/h4-7H,3,8H2,1-2H3,(H,20,24)
InChIKeyIQZVIEBKQCSINU-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.61
Rot. Bonds4

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

N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 53163084) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID53163084
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC NameN-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCCc1nn2c(CNC(=O)c3cccc(C(F)(F)F)c3)c(C)nc2s1
InChIInChI=1S/C16H15F3N4OS/c1-3-13-22-23-12(9(2)21-15(23)25-13)8-20-14(24)10-5-4-6-11(7-10)16(17,18)19/h4-7H,3,8H2,1-2H3,(H,20,24)
InChIKeyIQZVIEBKQCSINU-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide (CID 53163084) is N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide is CCc1nn2c(CNC(=O)c3cccc(C(F)(F)F)c3)c(C)nc2s1.
What is the InChIKey of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IQZVIEBKQCSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c1-3-13-22-23-12(9(2)21-15(23)25-13)8-20-14(24)10-5-4-6-11(7-10)16(17,18)19/h4-7H,3,8H2,1-2H3,(H,20,24).
What are the key properties of N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 368.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 53163084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).