7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine

C9H8N2OS — CID 167020529

IUPAC7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine
SMILESNc1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C9H8N2OS/c10-9-11-8-5-3-4-12-6(5)1-2-7(8)13-9/h1-2H,3-4H2,(H2,10,11)
InChIKeyBMZVHJFNMFGPDR-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds

About 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine

7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine (PubChem CID 167020529) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine
PubChem CID167020529
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine
SMILESNc1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C9H8N2OS/c10-9-11-8-5-3-4-12-6(5)1-2-7(8)13-9/h1-2H,3-4H2,(H2,10,11)
InChIKeyBMZVHJFNMFGPDR-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine?
The IUPAC name of 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine (CID 167020529) is 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine?
The canonical SMILES for 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine is Nc1nc2c3c(ccc2s1)OCC3.
What is the InChIKey of 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine?
The InChIKey is BMZVHJFNMFGPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-9-11-8-5-3-4-12-6(5)1-2-7(8)13-9/h1-2H,3-4H2,(H2,10,11).
What are the key properties of 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine?
7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine has a molecular weight of 192.24 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 167020529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).