5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine

C10H11BrN2S — CID 43306435

IUPAC5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)Nc1nc2cc(Br)ccc2s1
InChIInChI=1S/C10H11BrN2S/c1-6(2)12-10-13-8-5-7(11)3-4-9(8)14-10/h3-6H,1-2H3,(H,12,13)
InChIKeyKTEMRPIVEVYSML-UHFFFAOYSA-N
MW271.18 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine

5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 43306435) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID43306435
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)Nc1nc2cc(Br)ccc2s1
InChIInChI=1S/C10H11BrN2S/c1-6(2)12-10-13-8-5-7(11)3-4-9(8)14-10/h3-6H,1-2H3,(H,12,13)
InChIKeyKTEMRPIVEVYSML-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-pentan-2-yl-1,3-benzothiazol-2-amine
CID 43306540
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]-N-ethylpropanamide
CID 54959098
1-[(6-bromo-1,3-benzothiazol-2-yl)amino]ethanol
CID 163760821
N-(5-bromo-1,3-benzothiazol-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43306522
5-bromo-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 43307054
5-bromo-N-(4-iodophenyl)-1,3-benzothiazol-2-amine
CID 43304451
5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 43306818
5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306662
5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612
5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 114169760
5-bromo-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 63546956
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine (CID 43306435) is 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine is CC(C)Nc1nc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is KTEMRPIVEVYSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c1-6(2)12-10-13-8-5-7(11)3-4-9(8)14-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine?
5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 271.18 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).