6-bromo-4-ethyl-1,3-benzothiazol-2-amine

C9H9BrN2S — CID 3413695

IUPAC6-bromo-4-ethyl-1,3-benzothiazol-2-amine
SMILESCCc1cc(Br)cc2sc(N)nc12
InChIInChI=1S/C9H9BrN2S/c1-2-5-3-6(10)4-7-8(5)12-9(11)13-7/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyRLRFPJSDSWJTIX-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.20
Rot. Bonds1

About 6-bromo-4-ethyl-1,3-benzothiazol-2-amine

6-bromo-4-ethyl-1,3-benzothiazol-2-amine (PubChem CID 3413695) has the molecular formula C9H9BrN2S and a molecular weight of 257.16 g/mol. Its IUPAC name is 6-bromo-4-ethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-4-ethyl-1,3-benzothiazol-2-amine
PubChem CID3413695
Molecular FormulaC9H9BrN2S
Molecular Weight257.16 g/mol
Exact Mass255.97
IUPAC Name6-bromo-4-ethyl-1,3-benzothiazol-2-amine
SMILESCCc1cc(Br)cc2sc(N)nc12
InChIInChI=1S/C9H9BrN2S/c1-2-5-3-6(10)4-7-8(5)12-9(11)13-7/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyRLRFPJSDSWJTIX-UHFFFAOYSA-N
XLogP3.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-methylbenzothiazole
CID 17335
2-Amino-4-methylbenzothiazole
CID 15132
2-Benzothiazolamine, 6-bromo-
CID 85149
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093
4,6-Dimethyl-2-benzothiazolamine
CID 46372
2-Benzothiazolamine, 4-(trifluoromethyl)-
CID 108937
Benzothiazole, 2-hydrazinyl-4-methyl-
CID 88394
4-Bromo-1,3-benzothiazol-2-amine
CID 2049888
6-Bromo-4-methyl-1,3-benzothiazol-2-amine
CID 17244948
4-Methyl-1,3-benzothiazol-3-ium-2-amine chloride
CID 135502817
2-Benzothiazolamine, 4-methyl-, hydrochloride (1:1)
CID 71439200
6-Butyl-1,3-benzothiazol-2-amine
CID 1589210

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-4-ethyl-1,3-benzothiazol-2-amine (CID 3413695) is 6-bromo-4-ethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-4-ethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-4-ethyl-1,3-benzothiazol-2-amine is CCc1cc(Br)cc2sc(N)nc12.
What is the InChIKey of 6-bromo-4-ethyl-1,3-benzothiazol-2-amine?
The InChIKey is RLRFPJSDSWJTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S/c1-2-5-3-6(10)4-7-8(5)12-9(11)13-7/h3-4H,2H2,1H3,(H2,11,12).
What are the key properties of 6-bromo-4-ethyl-1,3-benzothiazol-2-amine?
6-bromo-4-ethyl-1,3-benzothiazol-2-amine has a molecular weight of 257.16 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3413695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).