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

C12H15BrN2OS — CID 82549380

IUPAC4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(Br)cc(OCC)cc2s1
InChIInChI=1S/C12H15BrN2OS/c1-3-5-14-12-15-11-9(13)6-8(16-4-2)7-10(11)17-12/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyXSLQKYPIDAYGSX-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.28
Rot. Bonds5

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

4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82549380) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82549380
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2c(Br)cc(OCC)cc2s1
InChIInChI=1S/C12H15BrN2OS/c1-3-5-14-12-15-11-9(13)6-8(16-4-2)7-10(11)17-12/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyXSLQKYPIDAYGSX-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

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Related Compounds

6-bromo-4-ethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549346
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391
6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine
CID 82548822
6-bromo-4-propan-2-yl-N-propyl-1,3-benzothiazol-2-amine
CID 82549350
4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549421
5-ethoxy-N-propyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710401
N-benzyl-4,6-diethoxy-1,3-benzothiazol-2-amine
CID 82549644
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79518268
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548547
6-phenoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549639

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine (CID 82549380) is 4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2c(Br)cc(OCC)cc2s1.
What is the InChIKey of 4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is XSLQKYPIDAYGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-3-5-14-12-15-11-9(13)6-8(16-4-2)7-10(11)17-12/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine?
4-bromo-6-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 4-bromo-6-ethoxy-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).