N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine

C16H16N2OS — CID 5018499

IUPACN-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3ccccc3)sc2c1
InChIInChI=1S/C16H16N2OS/c1-2-19-13-8-9-14-15(10-13)20-16(18-14)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyWGWKHFGRLSGXBF-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.31
Rot. Bonds5

About N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine

N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine (PubChem CID 5018499) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
PubChem CID5018499
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCc3ccccc3)sc2c1
InChIInChI=1S/C16H16N2OS/c1-2-19-13-8-9-14-15(10-13)20-16(18-14)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyWGWKHFGRLSGXBF-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine (CID 5018499) is N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NCc3ccccc3)sc2c1.
What is the InChIKey of N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine?
The InChIKey is WGWKHFGRLSGXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-2-19-13-8-9-14-15(10-13)20-16(18-14)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine?
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine has a molecular weight of 284.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 5018499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).