6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine

C10H9BrN2S — CID 169475647

IUPAC6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(C=CCBr)cc2s1
InChIInChI=1S/C10H9BrN2S/c11-5-1-2-7-3-4-8-9(6-7)14-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
InChIKeyQLNVSGOECJLGRS-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.29
Rot. Bonds2

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

6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine (PubChem CID 169475647) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine
PubChem CID169475647
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(C=CCBr)cc2s1
InChIInChI=1S/C10H9BrN2S/c11-5-1-2-7-3-4-8-9(6-7)14-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
InChIKeyQLNVSGOECJLGRS-UHFFFAOYSA-N
XLogP3.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-aminobut-1-enyl)-1,3-benzothiazol-2-amine
CID 170487111
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-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
6-[(E)-prop-1-enyl]-2-propyl-1,3-benzothiazole
CID 173058590
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
(2-amino-1,3-benzothiazol-6-yl)boronic acid
CID 119086634
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
6-(3-azidoprop-1-enyl)-2-chloro-1,3-benzothiazole
CID 169461926
6-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
(NE)-N-[1-(2-amino-1,3-benzothiazol-6-yl)ethylidene]hydroxylamine
CID 86767320

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine (CID 169475647) is 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(C=CCBr)cc2s1.
What is the InChIKey of 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine?
The InChIKey is QLNVSGOECJLGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-5-1-2-7-3-4-8-9(6-7)14-10(12)13-8/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine?
6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine has a molecular weight of 269.17 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoprop-1-enyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 169475647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).