N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

C18H21F4N3O4S — CID 122497184

IUPACN-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nc3sc(OCC(F)(F)F)nc3cc2F)C1
InChIInChI=1S/C18H21F4N3O4S/c1-9(23-10(2)26)6-27-12-3-11(4-12)7-28-15-13(19)5-14-16(25-15)30-17(24-14)29-8-18(20,21)22/h5,9,11-12H,3-4,6-8H2,1-2H3,(H,23,26)/t9-,11?,12?/m0/s1
InChIKeyCPZRWWGSJUDGNN-GCVQQVDUSA-N
MW451.44 g/mol
LogP3.47
Rot. Bonds9

About N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122497184) has the molecular formula C18H21F4N3O4S and a molecular weight of 451.44 g/mol. Its IUPAC name is N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122497184
Molecular FormulaC18H21F4N3O4S
Molecular Weight451.44 g/mol
Exact Mass451.12
IUPAC NameN-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nc3sc(OCC(F)(F)F)nc3cc2F)C1
InChIInChI=1S/C18H21F4N3O4S/c1-9(23-10(2)26)6-27-12-3-11(4-12)7-28-15-13(19)5-14-16(25-15)30-17(24-14)29-8-18(20,21)22/h5,9,11-12H,3-4,6-8H2,1-2H3,(H,23,26)/t9-,11?,12?/m0/s1
InChIKeyCPZRWWGSJUDGNN-GCVQQVDUSA-N
XLogP3.47
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122497184) is N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(COc2nc3sc(OCC(F)(F)F)nc3cc2F)C1.
What is the InChIKey of N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is CPZRWWGSJUDGNN-GCVQQVDUSA-N. The full InChI is InChI=1S/C18H21F4N3O4S/c1-9(23-10(2)26)6-27-12-3-11(4-12)7-28-15-13(19)5-14-16(25-15)30-17(24-14)29-8-18(20,21)22/h5,9,11-12H,3-4,6-8H2,1-2H3,(H,23,26)/t9-,11?,12?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 451.44 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[[6-fluoro-2-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).