5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine

C15H15N3OS — CID 43451301

IUPAC5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine
SMILESCCOc1ccc(Nc2ccc3scnc3c2N)cc1
InChIInChI=1S/C15H15N3OS/c1-2-19-11-5-3-10(4-6-11)18-12-7-8-13-15(14(12)16)17-9-20-13/h3-9,18H,2,16H2,1H3
InChIKeyOTIJRGQWCWVKET-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.02
Rot. Bonds4

About 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine

5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine (PubChem CID 43451301) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine
PubChem CID43451301
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine
SMILESCCOc1ccc(Nc2ccc3scnc3c2N)cc1
InChIInChI=1S/C15H15N3OS/c1-2-19-11-5-3-10(4-6-11)18-12-7-8-13-15(14(12)16)17-9-20-13/h3-9,18H,2,16H2,1H3
InChIKeyOTIJRGQWCWVKET-UHFFFAOYSA-N
XLogP4.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine
CID 43451362
5-N-(2-chlorophenyl)-1,3-benzothiazole-4,5-diamine
CID 43383093
5-N-(2,4,5-trichlorophenyl)-1,3-benzothiazole-4,5-diamine
CID 43451317
5-N-(2-bromo-5-methylphenyl)-1,3-benzothiazole-4,5-diamine
CID 82761384
5-N-(2,5-dichloro-4-methylphenyl)-1,3-benzothiazole-4,5-diamine
CID 104725890
5-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzothiazole-4,5-diamine
CID 106007437
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
1-[(4-amino-1,3-benzothiazol-5-yl)amino]-2-methylbutan-2-ol
CID 65103004
5-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzothiazole-4,5-diamine
CID 79352825
2-[(4-amino-1,3-benzothiazol-5-yl)amino]propane-1,3-diol
CID 65315305
5-N-(2-methylsulfanylethyl)-1,3-benzothiazole-4,5-diamine
CID 63983982
5-N-(4-ethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029657

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine?
The IUPAC name of 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine (CID 43451301) is 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine.
What is the SMILES notation for 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine?
The canonical SMILES for 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine is CCOc1ccc(Nc2ccc3scnc3c2N)cc1.
What is the InChIKey of 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine?
The InChIKey is OTIJRGQWCWVKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-19-11-5-3-10(4-6-11)18-12-7-8-13-15(14(12)16)17-9-20-13/h3-9,18H,2,16H2,1H3.
What are the key properties of 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine?
5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine has a molecular weight of 285.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine is sourced from PubChem (CID 43451301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).