6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine

C14H20N2O2S — CID 79518936

IUPAC6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
SMILESCCOCCCNc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H20N2O2S/c1-3-17-9-5-8-15-14-16-12-7-6-11(18-4-2)10-13(12)19-14/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyPUUDBSHRAHQTBK-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.53
Rot. Bonds8

About 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine

6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine (PubChem CID 79518936) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
PubChem CID79518936
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
SMILESCCOCCCNc1nc2ccc(OCC)cc2s1
InChIInChI=1S/C14H20N2O2S/c1-3-17-9-5-8-15-14-16-12-7-6-11(18-4-2)10-13(12)19-14/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyPUUDBSHRAHQTBK-UHFFFAOYSA-N
XLogP3.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.53
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

N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049323
6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79516074
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
6-ethoxy-N-(oxan-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 79518749
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
6-chloro-N-(2-ethoxyethyl)-1,3-benzothiazol-2-amine
CID 79529020
4-[(6-propoxy-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193021
2-N-(3-propoxypropyl)-1,3-benzothiazole-2,6-diamine
CID 82940537
6-bromo-N-(3-propoxypropyl)-1,3-benzothiazol-2-amine
CID 82943869
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine (CID 79518936) is 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine is CCOCCCNc1nc2ccc(OCC)cc2s1.
What is the InChIKey of 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine?
The InChIKey is PUUDBSHRAHQTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-17-9-5-8-15-14-16-12-7-6-11(18-4-2)10-13(12)19-14/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine?
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine has a molecular weight of 280.39 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).