N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide

C18H20F4N6O2S2 — CID 139344744

IUPACN-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@H]1CN(c2nc(-c3cnc4ccc(C(F)F)cn34)ns2)C[C@@H](CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C18H20F4N6O2S2/c1-10-7-27(9-12(18(10,21)22)5-24-32(2,29)30)17-25-16(26-31-17)13-6-23-14-4-3-11(15(19)20)8-28(13)14/h3-4,6,8,10,12,15,24H,5,7,9H2,1-2H3/t10-,12+/m0/s1
InChIKeyYPMDEBBLRFSAPL-CMPLNLGQSA-N
MW492.52 g/mol
LogP3.05
Rot. Bonds6

About N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide

N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139344744) has the molecular formula C18H20F4N6O2S2 and a molecular weight of 492.52 g/mol. Its IUPAC name is N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
PubChem CID139344744
Molecular FormulaC18H20F4N6O2S2
Molecular Weight492.52 g/mol
Exact Mass492.10
IUPAC NameN-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@H]1CN(c2nc(-c3cnc4ccc(C(F)F)cn34)ns2)C[C@@H](CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C18H20F4N6O2S2/c1-10-7-27(9-12(18(10,21)22)5-24-32(2,29)30)17-25-16(26-31-17)13-6-23-14-4-3-11(15(19)20)8-28(13)14/h3-4,6,8,10,12,15,24H,5,7,9H2,1-2H3/t10-,12+/m0/s1
InChIKeyYPMDEBBLRFSAPL-CMPLNLGQSA-N
XLogP3.05
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide (CID 139344744) is N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide is C[C@H]1CN(c2nc(-c3cnc4ccc(C(F)F)cn34)ns2)C[C@@H](CNS(C)(=O)=O)C1(F)F.
What is the InChIKey of N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is YPMDEBBLRFSAPL-CMPLNLGQSA-N. The full InChI is InChI=1S/C18H20F4N6O2S2/c1-10-7-27(9-12(18(10,21)22)5-24-32(2,29)30)17-25-16(26-31-17)13-6-23-14-4-3-11(15(19)20)8-28(13)14/h3-4,6,8,10,12,15,24H,5,7,9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?
N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 492.52 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-1-[3-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,2,4-thiadiazol-5-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139344744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).