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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Related Compounds

6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine
CID 169475647
ethyl 3-(2-amino-1,3-benzothiazol-6-yl)prop-2-enoate
CID 169480476
4-(2-amino-1,3-benzothiazol-5-yl)but-3-enoic acid
CID 170483730
6-(3-azidoprop-1-enyl)-2-chloro-1,3-benzothiazole
CID 169461926
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
tert-butyl N-[4-(2-chloro-1,3-benzothiazol-6-yl)but-3-enyl]carbamate
CID 170490662
4-(4-aminobut-1-enyl)-2-methoxybenzaldehyde
CID 170487189
6-[(E)-prop-1-enyl]-2-propyl-1,3-benzothiazole
CID 173058590
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
4-(4-bromo-3-fluorophenyl)but-3-en-1-amine
CID 170487945

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).