N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide

C20H26N4O4S — CID 154946898

IUPACN-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(=COc2ccc3nc(N4CCOCC4)sc3n2)C1
InChIInChI=1S/C20H26N4O4S/c1-13(21-14(2)25)11-27-16-9-15(10-16)12-28-18-4-3-17-19(23-18)29-20(22-17)24-5-7-26-8-6-24/h3-4,12-13,16H,5-11H2,1-2H3,(H,21,25)/b15-12-/t13-,16?/m0/s1
InChIKeySSXDDFJKQKBLPR-JWWBGUTASA-N
MW418.52 g/mol
LogP2.49
Rot. Bonds7

About N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 154946898) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID154946898
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(=COc2ccc3nc(N4CCOCC4)sc3n2)C1
InChIInChI=1S/C20H26N4O4S/c1-13(21-14(2)25)11-27-16-9-15(10-16)12-28-18-4-3-17-19(23-18)29-20(22-17)24-5-7-26-8-6-24/h3-4,12-13,16H,5-11H2,1-2H3,(H,21,25)/b15-12-/t13-,16?/m0/s1
InChIKeySSXDDFJKQKBLPR-JWWBGUTASA-N
XLogP2.49
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-1-[4-[(7-fluoro-2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497728
(4R)-4-methyl-5-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypentan-2-one
CID 158169339
N-[(2S)-1-[4-[[2-(4,4-difluoropiperidin-1-yl)-7-fluoro-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497664
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
N-[(2S)-1-[4-[(2-ethoxy-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497848
N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 151266250
N-[(2S)-1-[1-[6-(2,2,2-trifluoroethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
CID 58484027
N-[(2S)-1-[4-[[7-fluoro-2-[(3S)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122552183
N-[(2S)-1-[3-[[2-[(2S)-2-fluoropropoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122498086
N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497729
N-[(2S)-1-cyclohexyloxypropan-2-yl]acetamide;7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-ol
CID 144830472
3-acetamido-3-(4-chlorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 55381431

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide (CID 154946898) is N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(=COc2ccc3nc(N4CCOCC4)sc3n2)C1.
What is the InChIKey of N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is SSXDDFJKQKBLPR-JWWBGUTASA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-13(21-14(2)25)11-27-16-9-15(10-16)12-28-18-4-3-17-19(23-18)29-20(22-17)24-5-7-26-8-6-24/h3-4,12-13,16H,5-11H2,1-2H3,(H,21,25)/b15-12-/t13-,16?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[(2-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethylidene]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 154946898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).