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

C14H16F3N5OS — CID 129329984

IUPAC4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H16F3N5OS/c1-2-9-12(24-21-20-9)13(23)18-5-8-3-4-11-19-10(14(15,16)17)7-22(11)6-8/h7-8H,2-6H2,1H3,(H,18,23)/t8-/m1/s1
InChIKeyHFUNGSCTITVQGV-MRVPVSSYSA-N
MW359.38 g/mol
LogP2.31
Rot. Bonds4

About 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 129329984) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
PubChem CID129329984
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H16F3N5OS/c1-2-9-12(24-21-20-9)13(23)18-5-8-3-4-11-19-10(14(15,16)17)7-22(11)6-8/h7-8H,2-6H2,1H3,(H,18,23)/t8-/m1/s1
InChIKeyHFUNGSCTITVQGV-MRVPVSSYSA-N
XLogP2.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide (CID 129329984) is 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is HFUNGSCTITVQGV-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16F3N5OS/c1-2-9-12(24-21-20-9)13(23)18-5-8-3-4-11-19-10(14(15,16)17)7-22(11)6-8/h7-8H,2-6H2,1H3,(H,18,23)/t8-/m1/s1.
What are the key properties of 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 129329984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).