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

C15H17F3N4OS — CID 129005901

IUPAC2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)s1
InChIInChI=1S/C15H17F3N4OS/c1-8-13(24-9(2)20-8)14(23)19-5-10-3-4-12-21-11(15(16,17)18)7-22(12)6-10/h7,10H,3-6H2,1-2H3,(H,19,23)
InChIKeyXDGXRPQWWKOOFM-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.97
Rot. Bonds3

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

2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 129005901) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID129005901
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)s1
InChIInChI=1S/C15H17F3N4OS/c1-8-13(24-9(2)20-8)14(23)19-5-10-3-4-12-21-11(15(16,17)18)7-22(12)6-10/h7,10H,3-6H2,1-2H3,(H,19,23)
InChIKeyXDGXRPQWWKOOFM-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide (CID 129005901) is 2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)s1.
What is the InChIKey of 2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XDGXRPQWWKOOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-8-13(24-9(2)20-8)14(23)19-5-10-3-4-12-21-11(15(16,17)18)7-22(12)6-10/h7,10H,3-6H2,1-2H3,(H,19,23).
What are the key properties of 2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 129005901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).