3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine

C13H16F3N5S — CID 129002269

IUPAC3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C13H16F3N5S/c1-2-10-19-12(22-20-10)17-5-8-3-4-11-18-9(13(14,15)16)7-21(11)6-8/h7-8H,2-6H2,1H3,(H,17,19,20)
InChIKeyKHUJDBLEFCFONY-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.99
Rot. Bonds4

About 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 129002269) has the molecular formula C13H16F3N5S and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID129002269
Molecular FormulaC13H16F3N5S
Molecular Weight331.37 g/mol
Exact Mass331.11
IUPAC Name3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C13H16F3N5S/c1-2-10-19-12(22-20-10)17-5-8-3-4-11-18-9(13(14,15)16)7-21(11)6-8/h7-8H,2-6H2,1H3,(H,17,19,20)
InChIKeyKHUJDBLEFCFONY-UHFFFAOYSA-N
XLogP2.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 129002269) is 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2CCc3nc(C(F)(F)F)cn3C2)n1.
What is the InChIKey of 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is KHUJDBLEFCFONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5S/c1-2-10-19-12(22-20-10)17-5-8-3-4-11-18-9(13(14,15)16)7-21(11)6-8/h7-8H,2-6H2,1H3,(H,17,19,20).
What are the key properties of 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 331.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 129002269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).