2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C11H12N2OS — CID 62080266

IUPAC2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(-c3ccco3)sc21
InChIInChI=1S/C11H12N2OS/c12-7-3-1-4-8-10(7)15-11(13-8)9-5-2-6-14-9/h2,5-7H,1,3-4,12H2
InChIKeyUIAZCRRZGSISMP-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.74
Rot. Bonds1

About 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62080266) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62080266
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(-c3ccco3)sc21
InChIInChI=1S/C11H12N2OS/c12-7-3-1-4-8-10(7)15-11(13-8)9-5-2-6-14-9/h2,5-7H,1,3-4,12H2
InChIKeyUIAZCRRZGSISMP-UHFFFAOYSA-N
XLogP2.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62080266) is 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(-c3ccco3)sc21.
What is the InChIKey of 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is UIAZCRRZGSISMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-7-3-1-4-8-10(7)15-11(13-8)9-5-2-6-14-9/h2,5-7H,1,3-4,12H2.
What are the key properties of 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 220.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62080266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).