N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide

C12H12F3N5OS — CID 128994579

IUPACN-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
SMILESO=C(NCC1CCc2nc(C(F)(F)F)cn2C1)c1cnns1
InChIInChI=1S/C12H12F3N5OS/c13-12(14,15)9-6-20-5-7(1-2-10(20)18-9)3-16-11(21)8-4-17-19-22-8/h4,6-7H,1-3,5H2,(H,16,21)
InChIKeyWUALZBSTRBWWCP-UHFFFAOYSA-N
MW331.32 g/mol
LogP1.75
Rot. Bonds3

About N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide

N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 128994579) has the molecular formula C12H12F3N5OS and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
PubChem CID128994579
Molecular FormulaC12H12F3N5OS
Molecular Weight331.32 g/mol
Exact Mass331.07
IUPAC NameN-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
SMILESO=C(NCC1CCc2nc(C(F)(F)F)cn2C1)c1cnns1
InChIInChI=1S/C12H12F3N5OS/c13-12(14,15)9-6-20-5-7(1-2-10(20)18-9)3-16-11(21)8-4-17-19-22-8/h4,6-7H,1-3,5H2,(H,16,21)
InChIKeyWUALZBSTRBWWCP-UHFFFAOYSA-N
XLogP1.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide (CID 128994579) is N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide is O=C(NCC1CCc2nc(C(F)(F)F)cn2C1)c1cnns1.
What is the InChIKey of N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is WUALZBSTRBWWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5OS/c13-12(14,15)9-6-20-5-7(1-2-10(20)18-9)3-16-11(21)8-4-17-19-22-8/h4,6-7H,1-3,5H2,(H,16,21).
What are the key properties of N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 128994579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).