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

C14H15F3N4OS — CID 128996892

IUPAC3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H15F3N4OS/c1-8-10(7-23-20-8)13(22)18-4-9-2-3-12-19-11(14(15,16)17)6-21(12)5-9/h6-7,9H,2-5H2,1H3,(H,18,22)
InChIKeyNHKAUSVJVTWXID-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.66
Rot. Bonds3

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

3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide (PubChem CID 128996892) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide
PubChem CID128996892
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H15F3N4OS/c1-8-10(7-23-20-8)13(22)18-4-9-2-3-12-19-11(14(15,16)17)6-21(12)5-9/h6-7,9H,2-5H2,1H3,(H,18,22)
InChIKeyNHKAUSVJVTWXID-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide (CID 128996892) is 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NCC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is NHKAUSVJVTWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-8-10(7-23-20-8)13(22)18-4-9-2-3-12-19-11(14(15,16)17)6-21(12)5-9/h6-7,9H,2-5H2,1H3,(H,18,22).
What are the key properties of 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 128996892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).