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

C15H15N3S — CID 43451362

IUPAC5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine
SMILESCCc1cccc(Nc2ccc3scnc3c2N)c1
InChIInChI=1S/C15H15N3S/c1-2-10-4-3-5-11(8-10)18-12-6-7-13-15(14(12)16)17-9-19-13/h3-9,18H,2,16H2,1H3
InChIKeyURNGQGQKNKZMGY-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.18
Rot. Bonds3

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

5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine (PubChem CID 43451362) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine
PubChem CID43451362
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine
SMILESCCc1cccc(Nc2ccc3scnc3c2N)c1
InChIInChI=1S/C15H15N3S/c1-2-10-4-3-5-11(8-10)18-12-6-7-13-15(14(12)16)17-9-19-13/h3-9,18H,2,16H2,1H3
InChIKeyURNGQGQKNKZMGY-UHFFFAOYSA-N
XLogP4.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine
CID 43451301
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
6-N-(3-ethylphenyl)isoquinoline-5,6-diamine
CID 106947586
1-N-(3-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165595
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444
5-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzothiazole-4,5-diamine
CID 106007437
5-N-(2,5-dichloro-4-methylphenyl)-1,3-benzothiazole-4,5-diamine
CID 104725890
5-N-(3-chloro-2-fluorophenyl)-1,3-benzothiazole-4,5-diamine
CID 43451381
5-N-[(4-ethylcyclohexyl)methyl]-1,3-benzothiazole-4,5-diamine
CID 63406027
2-[(4-amino-1,3-benzothiazol-5-yl)amino]propane-1,3-diol
CID 65315305
5-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzothiazole-4,5-diamine
CID 79352825

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine?
The IUPAC name of 5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine (CID 43451362) is 5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine?
The canonical SMILES for 5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine is CCc1cccc(Nc2ccc3scnc3c2N)c1.
What is the InChIKey of 5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine?
The InChIKey is URNGQGQKNKZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-10-4-3-5-11(8-10)18-12-6-7-13-15(14(12)16)17-9-19-13/h3-9,18H,2,16H2,1H3.
What are the key properties of 5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine?
5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine has a molecular weight of 269.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-ethylphenyl)-1,3-benzothiazole-4,5-diamine is sourced from PubChem (CID 43451362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).