N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide

C17H19F3N6O2S2 — CID 139344486

IUPACN-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2nsc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H19F3N6O2S2/c1-30(27,28)22-7-11-3-2-6-25(9-11)16-23-15(29-24-16)13-8-21-14-5-4-12(10-26(13)14)17(18,19)20/h4-5,8,10-11,22H,2-3,6-7,9H2,1H3
InChIKeyMJSZSBXVLFHDJN-UHFFFAOYSA-N
MW460.51 g/mol
LogP2.64
Rot. Bonds5

About N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139344486) has the molecular formula C17H19F3N6O2S2 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID139344486
Molecular FormulaC17H19F3N6O2S2
Molecular Weight460.51 g/mol
Exact Mass460.10
IUPAC NameN-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(c2nsc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C17H19F3N6O2S2/c1-30(27,28)22-7-11-3-2-6-25(9-11)16-23-15(29-24-16)13-8-21-14-5-4-12(10-26(13)14)17(18,19)20/h4-5,8,10-11,22H,2-3,6-7,9H2,1H3
InChIKeyMJSZSBXVLFHDJN-UHFFFAOYSA-N
XLogP2.64
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 139344486) is N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(c2nsc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is MJSZSBXVLFHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2S2/c1-30(27,28)22-7-11-3-2-6-25(9-11)16-23-15(29-24-16)13-8-21-14-5-4-12(10-26(13)14)17(18,19)20/h4-5,8,10-11,22H,2-3,6-7,9H2,1H3.
What are the key properties of N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 460.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-3-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139344486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).