6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine

C15H15BrN2S2 — CID 79528939

IUPAC6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine
SMILESCCCC(Nc1nc2ccc(Br)cc2s1)c1cccs1
InChIInChI=1S/C15H15BrN2S2/c1-2-4-11(13-5-3-8-19-13)17-15-18-12-7-6-10(16)9-14(12)20-15/h3,5-9,11H,2,4H2,1H3,(H,17,18)
InChIKeyIZRBIUSJARVEFJ-UHFFFAOYSA-N
MW367.34 g/mol
LogP6.07
Rot. Bonds5

About 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine

6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine (PubChem CID 79528939) has the molecular formula C15H15BrN2S2 and a molecular weight of 367.34 g/mol. Its IUPAC name is 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine
PubChem CID79528939
Molecular FormulaC15H15BrN2S2
Molecular Weight367.34 g/mol
Exact Mass365.99
IUPAC Name6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine
SMILESCCCC(Nc1nc2ccc(Br)cc2s1)c1cccs1
InChIInChI=1S/C15H15BrN2S2/c1-2-4-11(13-5-3-8-19-13)17-15-18-12-7-6-10(16)9-14(12)20-15/h3,5-9,11H,2,4H2,1H3,(H,17,18)
InChIKeyIZRBIUSJARVEFJ-UHFFFAOYSA-N
XLogP6.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.34
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79525588
1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
CID 163760821
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
6-bromo-N-(4-methylhexan-2-yl)-1,3-benzothiazol-2-amine
CID 79527837
4-bromo-2-(1-thiophen-2-ylbutylamino)benzoic acid
CID 114907313
5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine
CID 43306540
3-propan-2-yl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276944
6-bromo-N-octyl-1,3-benzothiazol-2-amine
CID 115569155
6-bromo-N-(4-methylpentyl)-1,3-benzothiazol-2-amine
CID 79527747
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79527738
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine (CID 79528939) is 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine is CCCC(Nc1nc2ccc(Br)cc2s1)c1cccs1.
What is the InChIKey of 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine?
The InChIKey is IZRBIUSJARVEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2S2/c1-2-4-11(13-5-3-8-19-13)17-15-18-12-7-6-10(16)9-14(12)20-15/h3,5-9,11H,2,4H2,1H3,(H,17,18).
What are the key properties of 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine?
6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine has a molecular weight of 367.34 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-thiophen-2-ylbutyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79528939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).