5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine

C15H16N2O2S — CID 82548972

IUPAC5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine
SMILESCOCCNc1nc2c(cc(OC)c3ccccc32)s1
InChIInChI=1S/C15H16N2O2S/c1-18-8-7-16-15-17-14-11-6-4-3-5-10(11)12(19-2)9-13(14)20-15/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyDAIZRQBEOJWOFH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.52
Rot. Bonds5

About 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine

5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine (PubChem CID 82548972) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine
PubChem CID82548972
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine
SMILESCOCCNc1nc2c(cc(OC)c3ccccc32)s1
InChIInChI=1S/C15H16N2O2S/c1-18-8-7-16-15-17-14-11-6-4-3-5-10(11)12(19-2)9-13(14)20-15/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyDAIZRQBEOJWOFH-UHFFFAOYSA-N
XLogP3.52
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 82549477
5-ethoxy-N-propyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710401
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
6-ethyl-N-(2-methoxyethyl)-4-nitro-1,3-benzothiazol-2-amine
CID 96710333
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
N-benzo[e][1,3]benzothiazol-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8781141
5-ethoxy-N-methyl-[1,3]thiazolo[4,5-f]quinolin-2-amine
CID 96710399
5-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812467
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
CID 82548705
4,5,6-triethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 96710391

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine?
The IUPAC name of 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine (CID 82548972) is 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine?
The canonical SMILES for 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine is COCCNc1nc2c(cc(OC)c3ccccc32)s1.
What is the InChIKey of 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine?
The InChIKey is DAIZRQBEOJWOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-18-8-7-16-15-17-14-11-6-4-3-5-10(11)12(19-2)9-13(14)20-15/h3-6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine?
5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine has a molecular weight of 288.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 82548972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).