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

C15H18F3N5OS — CID 128970968

IUPAC4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H18F3N5OS/c1-3-10-13(25-21-20-10)14(24)22(2)6-9-4-5-12-19-11(15(16,17)18)8-23(12)7-9/h8-9H,3-7H2,1-2H3
InChIKeyJEUGIBYAFJSLJF-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.65
Rot. Bonds4

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

4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 128970968) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
PubChem CID128970968
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC Name4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H18F3N5OS/c1-3-10-13(25-21-20-10)14(24)22(2)6-9-4-5-12-19-11(15(16,17)18)8-23(12)7-9/h8-9H,3-7H2,1-2H3
InChIKeyJEUGIBYAFJSLJF-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Ethylthiadiazol-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53609240
(4-Ethylthiadiazol-5-yl)-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779782
(4-((2-ethyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 56724023
2-ethyl-6-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750157
N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
CID 128972230
4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
CID 128973018
4-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129005573
4-ethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
CID 129006346
4-ethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129329984
4-ethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129329985
4-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129331284
4-ethyl-N-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide
CID 129331285

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide (CID 128970968) is 4-ethyl-N-methyl-N-[[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-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is JEUGIBYAFJSLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-3-10-13(25-21-20-10)14(24)22(2)6-9-4-5-12-19-11(15(16,17)18)8-23(12)7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 128970968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).