6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine

C12H15BrN2OS — CID 82549346

IUPAC6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(OCC)cc(Br)cc2s1
InChIInChI=1S/C12H15BrN2OS/c1-3-5-14-12-15-11-9(16-4-2)6-8(13)7-10(11)17-12/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyCTQAFISYZNUORU-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.28
Rot. Bonds5

About 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine

6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82549346) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82549346
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(OCC)cc(Br)cc2s1
InChIInChI=1S/C12H15BrN2OS/c1-3-5-14-12-15-11-9(16-4-2)6-8(13)7-10(11)17-12/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyCTQAFISYZNUORU-UHFFFAOYSA-N
XLogP4.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-4-ethoxy-N-propyl-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-bromo-4-propan-2-yl-N-propyl-1,3-benzothiazol-2-amine
CID 82549350
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391
4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549380
5-ethoxy-N-propyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710401
3-(6-bromo-4-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107152
6-bromo-N,4-diethyl-1,3-benzothiazol-2-amine
CID 82549434
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644
2-(2-aminoethylamino)-6-bromo-1,3-benzothiazol-4-ol
CID 138721464
6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine
CID 82548822
4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548668
5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710399
6-bromo-4-(diethylphosphorylmethoxy)-1,3-benzothiazol-2-amine
CID 141029067

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine (CID 82549346) is 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2c(OCC)cc(Br)cc2s1.
What is the InChIKey of 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is CTQAFISYZNUORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-3-5-14-12-15-11-9(16-4-2)6-8(13)7-10(11)17-12/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine?
6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine has a molecular weight of 315.24 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).