(3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol

C14H16N2O3S — CID 170031946

IUPAC(3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol
SMILESO[C@H]1CCOC[C@H]1Nc1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C14H16N2O3S/c17-10-4-5-18-7-9(10)15-14-16-13-8-3-6-19-11(8)1-2-12(13)20-14/h1-2,9-10,17H,3-7H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyXKSPKAFFPVTLIY-ZJUUUORDSA-N
MW292.36 g/mol
LogP1.79
Rot. Bonds2

About (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol

(3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol (PubChem CID 170031946) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol
PubChem CID170031946
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name(3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol
SMILESO[C@H]1CCOC[C@H]1Nc1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C14H16N2O3S/c17-10-4-5-18-7-9(10)15-14-16-13-8-3-6-19-11(8)1-2-12(13)20-14/h1-2,9-10,17H,3-7H2,(H,15,16)/t9-,10+/m1/s1
InChIKeyXKSPKAFFPVTLIY-ZJUUUORDSA-N
XLogP1.79
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol?
The IUPAC name of (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol (CID 170031946) is (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol.
What is the SMILES notation for (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol?
The canonical SMILES for (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol is O[C@H]1CCOC[C@H]1Nc1nc2c3c(ccc2s1)OCC3.
What is the InChIKey of (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol?
The InChIKey is XKSPKAFFPVTLIY-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-10-4-5-18-7-9(10)15-14-16-13-8-3-6-19-11(8)1-2-12(13)20-14/h1-2,9-10,17H,3-7H2,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol?
(3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol has a molecular weight of 292.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-ylamino)oxan-4-ol is sourced from PubChem (CID 170031946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).