1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine

C18H25FN2O3S — CID 144830524

IUPAC1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine
SMILESCCOc1nc2ccc(OCC3CC(OCC(C)NC)C3)c(F)c2s1
InChIInChI=1S/C18H25FN2O3S/c1-4-22-18-21-14-5-6-15(16(19)17(14)25-18)24-10-12-7-13(8-12)23-9-11(2)20-3/h5-6,11-13,20H,4,7-10H2,1-3H3
InChIKeyUCLDKWBOMPMGET-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.62
Rot. Bonds9

About 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine

1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine (PubChem CID 144830524) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine
PubChem CID144830524
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC Name1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine
SMILESCCOc1nc2ccc(OCC3CC(OCC(C)NC)C3)c(F)c2s1
InChIInChI=1S/C18H25FN2O3S/c1-4-22-18-21-14-5-6-15(16(19)17(14)25-18)24-10-12-7-13(8-12)23-9-11(2)20-3/h5-6,11-13,20H,4,7-10H2,1-3H3
InChIKeyUCLDKWBOMPMGET-UHFFFAOYSA-N
XLogP3.62
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine with MolForge

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Related Compounds

(4R)-5-[3-[(2-cyclobutyloxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one
CID 148754618
N-[(2S)-1-[3-[[2-(1,1-difluoroethyl)-7-fluoro-1,3-benzothiazol-6-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497981
N-[(3S)-3-[5-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide
CID 163813874
(2S)-1-[5-[[7-fluoro-2-(1-fluorocyclopropyl)-1,3-benzothiazol-6-yl]oxy]pyrazin-2-yl]oxy-N-methylpropan-2-amine
CID 144830343
N-[(2S)-1-[4-[[2-(1,1-difluoroethyl)-7-fluoro-1,3-benzothiazol-6-yl]oxy]cyclohexyl]oxypropan-2-yl]methanesulfonamide
CID 122497436
N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497729
N-[(2S)-1-[4-[(7-fluoro-2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497728
3-(cyclopent-3-en-1-ylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene
CID 170293379
(4R)-5-[3-[(7-chloro-2-ethoxy-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxy-4-methylpentan-2-one
CID 159443351
2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
CID 153282428
N-[(2S)-1-[3-[[2-[(2S)-2-fluoropropoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122498086
3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
CID 125470974

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine?
The IUPAC name of 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine (CID 144830524) is 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine?
The canonical SMILES for 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine is CCOc1nc2ccc(OCC3CC(OCC(C)NC)C3)c(F)c2s1.
What is the InChIKey of 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine?
The InChIKey is UCLDKWBOMPMGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c1-4-22-18-21-14-5-6-15(16(19)17(14)25-18)24-10-12-7-13(8-12)23-9-11(2)20-3/h5-6,11-13,20H,4,7-10H2,1-3H3.
What are the key properties of 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine?
1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine has a molecular weight of 368.47 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethoxy-7-fluoro-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxy-N-methylpropan-2-amine is sourced from PubChem (CID 144830524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).