(7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

C10H9FN2O2S — CID 154628667

IUPAC(7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
SMILESC[C@H]1COc2cc3nc(N)sc3c(F)c2O1
InChIInChI=1S/C10H9FN2O2S/c1-4-3-14-6-2-5-9(16-10(12)13-5)7(11)8(6)15-4/h2,4H,3H2,1H3,(H2,12,13)/t4-/m0/s1
InChIKeyYZPPVCVXQRJUGK-BYPYZUCNSA-N
MW240.26 g/mol
LogP2.18
Rot. Bonds

About (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

(7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine (PubChem CID 154628667) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name(7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
PubChem CID154628667
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name(7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
SMILESC[C@H]1COc2cc3nc(N)sc3c(F)c2O1
InChIInChI=1S/C10H9FN2O2S/c1-4-3-14-6-2-5-9(16-10(12)13-5)7(11)8(6)15-4/h2,4H,3H2,1H3,(H2,12,13)/t4-/m0/s1
InChIKeyYZPPVCVXQRJUGK-BYPYZUCNSA-N
XLogP2.18
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
The IUPAC name of (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine (CID 154628667) is (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine.
What is the SMILES notation for (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
The canonical SMILES for (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine is C[C@H]1COc2cc3nc(N)sc3c(F)c2O1.
What is the InChIKey of (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
The InChIKey is YZPPVCVXQRJUGK-BYPYZUCNSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c1-4-3-14-6-2-5-9(16-10(12)13-5)7(11)8(6)15-4/h2,4H,3H2,1H3,(H2,12,13)/t4-/m0/s1.
What are the key properties of (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine?
(7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine has a molecular weight of 240.26 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-9-fluoro-7-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine is sourced from PubChem (CID 154628667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).