[(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate

C16H19N3O3S — CID 177070924

IUPAC[(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CC[C@@H](Nc2nc3c4c(ccc3s2)OCC4)[C@H]1N
InChIInChI=1S/C16H19N3O3S/c1-8(20)22-12-3-2-10(14(12)17)18-16-19-15-9-6-7-21-11(9)4-5-13(15)23-16/h4-5,10,12,14H,2-3,6-7,17H2,1H3,(H,18,19)/t10-,12-,14-/m1/s1
InChIKeyFSIXATOYDDWGIH-MPKXVKKWSA-N
MW333.41 g/mol
LogP2.06
Rot. Bonds3

About [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate

[(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate (PubChem CID 177070924) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate.

Molecular Properties

Compound Name[(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate
PubChem CID177070924
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate
SMILESCC(=O)O[C@@H]1CC[C@@H](Nc2nc3c4c(ccc3s2)OCC4)[C@H]1N
InChIInChI=1S/C16H19N3O3S/c1-8(20)22-12-3-2-10(14(12)17)18-16-19-15-9-6-7-21-11(9)4-5-13(15)23-16/h4-5,10,12,14H,2-3,6-7,17H2,1H3,(H,18,19)/t10-,12-,14-/m1/s1
InChIKeyFSIXATOYDDWGIH-MPKXVKKWSA-N
XLogP2.06
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate with MolForge

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Related Compounds

tert-butyl (3S)-3-amino-4-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 170030630
(3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol
CID 170031946
tert-butyl (4S,5R)-4-amino-5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)azepane-1-carboxylate
CID 170379619
tert-butyl N-[(1S,2R,5R)-2-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)-5-[(2,2,2-trifluoroacetyl)amino]cyclopentyl]carbamate
CID 175847135
tert-butyl N-[(3R,4S)-4-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxolan-3-yl]carbamate
CID 162761462
(3R,4R,6S)-4-N-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-ethyloxane-3,4-diamine
CID 170379496
tert-butyl (7S,8S)-7-amino-8-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)-4-azaspiro[2.5]octane-4-carboxylate
CID 170031865
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-N-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)cyclopentane-1,2-diamine
CID 177070925
tert-butyl 3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)-5-methylazepane-1-carboxylate
CID 170030926
CID 174090132
CID 174090132
7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine
CID 167020529
N-[5-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-3-pyridinyl]acetamide
CID 134434426

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate?
The IUPAC name of [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate (CID 177070924) is [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate.
What is the SMILES notation for [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate?
The canonical SMILES for [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate is CC(=O)O[C@@H]1CC[C@@H](Nc2nc3c4c(ccc3s2)OCC4)[C@H]1N.
What is the InChIKey of [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate?
The InChIKey is FSIXATOYDDWGIH-MPKXVKKWSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-8(20)22-12-3-2-10(14(12)17)18-16-19-15-9-6-7-21-11(9)4-5-13(15)23-16/h4-5,10,12,14H,2-3,6-7,17H2,1H3,(H,18,19)/t10-,12-,14-/m1/s1.
What are the key properties of [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate?
[(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate has a molecular weight of 333.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R)-2-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)cyclopentyl] acetate is sourced from PubChem (CID 177070924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).