7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine

C11H15N3OS — CID 69468691

IUPAC7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine
SMILESCCOCCNc1ccc(N)c2ncsc12
InChIInChI=1S/C11H15N3OS/c1-2-15-6-5-13-9-4-3-8(12)10-11(9)16-7-14-10/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyGBTKUWVTWDACOV-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.33
Rot. Bonds5

About 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine

7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine (PubChem CID 69468691) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine.

Molecular Properties

Compound Name7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine
PubChem CID69468691
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine
SMILESCCOCCNc1ccc(N)c2ncsc12
InChIInChI=1S/C11H15N3OS/c1-2-15-6-5-13-9-4-3-8(12)10-11(9)16-7-14-10/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyGBTKUWVTWDACOV-UHFFFAOYSA-N
XLogP2.33
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
5-N-(2-ethoxyethyl)-3-methylisoquinoline-5,8-diamine
CID 102713105
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
6-ethoxy-2-N-(2-ethoxyethyl)pyridine-2,5-diamine
CID 43591109
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
CID 107804703
ethyl 3-amino-4-(2-ethoxyethylamino)benzoate
CID 61313836
2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine
CID 62532492
4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine
CID 80792890
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzamide
CID 55190007
4-chloro-1-N-(2-ethoxyethyl)-5-fluorobenzene-1,2-diamine
CID 66077409

Frequently Asked Questions

What is the IUPAC name of 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine?
The IUPAC name of 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine (CID 69468691) is 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine.
What is the SMILES notation for 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine?
The canonical SMILES for 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine is CCOCCNc1ccc(N)c2ncsc12.
What is the InChIKey of 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine?
The InChIKey is GBTKUWVTWDACOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-15-6-5-13-9-4-3-8(12)10-11(9)16-7-14-10/h3-4,7,13H,2,5-6,12H2,1H3.
What are the key properties of 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine?
7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine has a molecular weight of 237.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine is sourced from PubChem (CID 69468691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).