N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide

C21H29N3O5S — CID 122497682

IUPACN-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(O[C@@H]4CCOC4)nc3cn2)CC1
InChIInChI=1S/C21H29N3O5S/c1-13(23-14(2)25)11-27-15-3-5-16(6-4-15)28-20-9-19-18(10-22-20)24-21(30-19)29-17-7-8-26-12-17/h9-10,13,15-17H,3-8,11-12H2,1-2H3,(H,23,25)/t13-,15?,16?,17+/m0/s1
InChIKeyRAZXVHGWMVPRAA-YJNKEBTESA-N
MW435.55 g/mol
LogP3.09
Rot. Bonds8

About N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497682) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497682
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC NameN-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(O[C@@H]4CCOC4)nc3cn2)CC1
InChIInChI=1S/C21H29N3O5S/c1-13(23-14(2)25)11-27-15-3-5-16(6-4-15)28-20-9-19-18(10-22-20)24-21(30-19)29-17-7-8-26-12-17/h9-10,13,15-17H,3-8,11-12H2,1-2H3,(H,23,25)/t13-,15?,16?,17+/m0/s1
InChIKeyRAZXVHGWMVPRAA-YJNKEBTESA-N
XLogP3.09
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[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-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (CID 122497682) is N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[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-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(O[C@@H]4CCOC4)nc3cn2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is RAZXVHGWMVPRAA-YJNKEBTESA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-13(23-14(2)25)11-27-15-3-5-16(6-4-15)28-20-9-19-18(10-22-20)24-21(30-19)29-17-7-8-26-12-17/h9-10,13,15-17H,3-8,11-12H2,1-2H3,(H,23,25)/t13-,15?,16?,17+/m0/s1.
What are the key properties of N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 3.09, 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-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).