3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine

C10H11BrN2S — CID 83903661

IUPAC3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine
SMILESNCCCc1cc(Br)cc2ncsc12
InChIInChI=1S/C10H11BrN2S/c11-8-4-7(2-1-3-12)10-9(5-8)13-6-14-10/h4-6H,1-3,12H2
InChIKeyRJDSTCNDQIXFPR-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.95
Rot. Bonds3

About 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine

3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine (PubChem CID 83903661) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine
PubChem CID83903661
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine
SMILESNCCCc1cc(Br)cc2ncsc12
InChIInChI=1S/C10H11BrN2S/c11-8-4-7(2-1-3-12)10-9(5-8)13-6-14-10/h4-6H,1-3,12H2
InChIKeyRJDSTCNDQIXFPR-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine
CID 83903664
3-(1,3-benzothiazol-6-yl)propan-1-amine
CID 69250616
5-bromo-1,3-benzothiazole-7-carbonitrile
CID 131449522
2-(3-aminopropyl)-4-bromo-6-fluorophenol
CID 83900251
2-(3-aminopropyl)-5-bromoaniline
CID 53434170
6-(2,5-dibromophenyl)hexan-1-amine
CID 65301155
5-(2,5-dibromophenyl)pentan-1-amine
CID 65301153
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
3-(6-bromo-4H-1,3-benzodioxin-8-yl)propan-1-amine
CID 83903751
3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
CID 117428416

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine (CID 83903661) is 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine is NCCCc1cc(Br)cc2ncsc12.
What is the InChIKey of 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine?
The InChIKey is RJDSTCNDQIXFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c11-8-4-7(2-1-3-12)10-9(5-8)13-6-14-10/h4-6H,1-3,12H2.
What are the key properties of 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine?
3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine has a molecular weight of 271.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-benzothiazol-7-yl)propan-1-amine is sourced from PubChem (CID 83903661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).