N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide

C20H26FN3O5S — CID 122497541

IUPACN-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2ncc3nc(OC4COC4)sc3c2F)CC1
InChIInChI=1S/C20H26FN3O5S/c1-11(23-12(2)25)8-27-13-3-5-14(6-4-13)28-19-17(21)18-16(7-22-19)24-20(30-18)29-15-9-26-10-15/h7,11,13-15H,3-6,8-10H2,1-2H3,(H,23,25)/t11-,13?,14?/m0/s1
InChIKeyWTMVZBIENQDYMN-XGNXJENSSA-N
MW439.51 g/mol
LogP2.84
Rot. Bonds8

About N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497541) has the molecular formula C20H26FN3O5S and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497541
Molecular FormulaC20H26FN3O5S
Molecular Weight439.51 g/mol
Exact Mass439.16
IUPAC NameN-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2ncc3nc(OC4COC4)sc3c2F)CC1
InChIInChI=1S/C20H26FN3O5S/c1-11(23-12(2)25)8-27-13-3-5-14(6-4-13)28-19-17(21)18-16(7-22-19)24-20(30-18)29-15-9-26-10-15/h7,11,13-15H,3-6,8-10H2,1-2H3,(H,23,25)/t11-,13?,14?/m0/s1
InChIKeyWTMVZBIENQDYMN-XGNXJENSSA-N
XLogP2.84
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (CID 122497541) is N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2ncc3nc(OC4COC4)sc3c2F)CC1.
What is the InChIKey of N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is WTMVZBIENQDYMN-XGNXJENSSA-N. The full InChI is InChI=1S/C20H26FN3O5S/c1-11(23-12(2)25)8-27-13-3-5-14(6-4-13)28-19-17(21)18-16(7-22-19)24-20(30-18)29-15-9-26-10-15/h7,11,13-15H,3-6,8-10H2,1-2H3,(H,23,25)/t11-,13?,14?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 439.51 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).