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

C13H16N2OS — CID 62345083

IUPAC2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1ccc(-c2nc3c(s2)C(N)CCC3)o1
InChIInChI=1S/C13H16N2OS/c1-2-8-6-7-11(16-8)13-15-10-5-3-4-9(14)12(10)17-13/h6-7,9H,2-5,14H2,1H3
InChIKeyIJVDEJGKEFFJKZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.30
Rot. Bonds2

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

2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62345083) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62345083
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1ccc(-c2nc3c(s2)C(N)CCC3)o1
InChIInChI=1S/C13H16N2OS/c1-2-8-6-7-11(16-8)13-15-10-5-3-4-9(14)12(10)17-13/h6-7,9H,2-5,14H2,1H3
InChIKeyIJVDEJGKEFFJKZ-UHFFFAOYSA-N
XLogP3.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62345083) is 2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCc1ccc(-c2nc3c(s2)C(N)CCC3)o1.
What is the InChIKey of 2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is IJVDEJGKEFFJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-8-6-7-11(16-8)13-15-10-5-3-4-9(14)12(10)17-13/h6-7,9H,2-5,14H2,1H3.
What are the key properties of 2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 248.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylfuran-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62345083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).