6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine

C12H12N4O2S — CID 106406315

IUPAC6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCc3ncno3)sc2c1
InChIInChI=1S/C12H12N4O2S/c1-17-8-2-3-9-10(6-8)19-12(16-9)13-5-4-11-14-7-15-18-11/h2-3,6-7H,4-5H2,1H3,(H,13,16)
InChIKeyIPKPIHLWCXORIK-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.34
Rot. Bonds5

About 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine

6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 106406315) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID106406315
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCCc3ncno3)sc2c1
InChIInChI=1S/C12H12N4O2S/c1-17-8-2-3-9-10(6-8)19-12(16-9)13-5-4-11-14-7-15-18-11/h2-3,6-7H,4-5H2,1H3,(H,13,16)
InChIKeyIPKPIHLWCXORIK-UHFFFAOYSA-N
XLogP2.34
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 106049337
methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
6-methoxy-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79518809
5-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106403802
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049325
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79512590
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419883
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 79519042

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine (CID 106406315) is 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine is COc1ccc2nc(NCCc3ncno3)sc2c1.
What is the InChIKey of 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is IPKPIHLWCXORIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-17-8-2-3-9-10(6-8)19-12(16-9)13-5-4-11-14-7-15-18-11/h2-3,6-7H,4-5H2,1H3,(H,13,16).
What are the key properties of 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine?
6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 276.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106406315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).