N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide

C17H18F3N5O3S2 — CID 139344495

IUPACN-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(c2nc(-c3cnc4ccc(C(F)(F)F)cn34)cs2)CCO1
InChIInChI=1S/C17H18F3N5O3S2/c1-30(26,27)22-6-12-9-24(4-5-28-12)16-23-13(10-29-16)14-7-21-15-3-2-11(8-25(14)15)17(18,19)20/h2-3,7-8,10,12,22H,4-6,9H2,1H3/t12-/m1/s1
InChIKeyMSUCHLZGFHCECM-GFCCVEGCSA-N
MW461.49 g/mol
LogP2.23
Rot. Bonds5

About N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide

N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide (PubChem CID 139344495) has the molecular formula C17H18F3N5O3S2 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide
PubChem CID139344495
Molecular FormulaC17H18F3N5O3S2
Molecular Weight461.49 g/mol
Exact Mass461.08
IUPAC NameN-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(c2nc(-c3cnc4ccc(C(F)(F)F)cn34)cs2)CCO1
InChIInChI=1S/C17H18F3N5O3S2/c1-30(26,27)22-6-12-9-24(4-5-28-12)16-23-13(10-29-16)14-7-21-15-3-2-11(8-25(14)15)17(18,19)20/h2-3,7-8,10,12,22H,4-6,9H2,1H3/t12-/m1/s1
InChIKeyMSUCHLZGFHCECM-GFCCVEGCSA-N
XLogP2.23
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide (CID 139344495) is N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CN(c2nc(-c3cnc4ccc(C(F)(F)F)cn34)cs2)CCO1.
What is the InChIKey of N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide?
The InChIKey is MSUCHLZGFHCECM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F3N5O3S2/c1-30(26,27)22-6-12-9-24(4-5-28-12)16-23-13(10-29-16)14-7-21-15-3-2-11(8-25(14)15)17(18,19)20/h2-3,7-8,10,12,22H,4-6,9H2,1H3/t12-/m1/s1.
What are the key properties of N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 461.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]morpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139344495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).