6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine

C11H13N3S — CID 170487111

IUPAC6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine
SMILESNCCC=Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C11H13N3S/c12-6-2-1-3-8-4-5-9-10(7-8)15-11(13)14-9/h1,3-5,7H,2,6,12H2,(H2,13,14)
InChIKeyFOARPLUURCKACR-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.24
Rot. Bonds3

About 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine

6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine (PubChem CID 170487111) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine
PubChem CID170487111
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine
SMILESNCCC=Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C11H13N3S/c12-6-2-1-3-8-4-5-9-10(7-8)15-11(13)14-9/h1,3-5,7H,2,6,12H2,(H2,13,14)
InChIKeyFOARPLUURCKACR-UHFFFAOYSA-N
XLogP2.24
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine (CID 170487111) is 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine is NCCC=Cc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine?
The InChIKey is FOARPLUURCKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-6-2-1-3-8-4-5-9-10(7-8)15-11(13)14-9/h1,3-5,7H,2,6,12H2,(H2,13,14).
What are the key properties of 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine?
6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 170487111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).