6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride

C15H25Cl2N3OS — CID 8707

IUPAC6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride
SMILESCCN(CC)CCOc1ccc2nc(N(C)C)sc2c1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4;;/h7-8,11H,5-6,9-10H2,1-4H3;2*1H
InChIKeyFZNXAQMQVKBXDR-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.93
Rot. Bonds7

About 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride

6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride (PubChem CID 8707) has the molecular formula C15H25Cl2N3OS and a molecular weight of 366.36 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride
PubChem CID8707
Molecular FormulaC15H25Cl2N3OS
Molecular Weight366.36 g/mol
Exact Mass365.11
IUPAC Name6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride
SMILESCCN(CC)CCOc1ccc2nc(N(C)C)sc2c1.Cl.Cl
InChIInChI=1S/C15H23N3OS.2ClH/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4;;/h7-8,11H,5-6,9-10H2,1-4H3;2*1H
InChIKeyFZNXAQMQVKBXDR-UHFFFAOYSA-N
XLogP3.93
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride?
The IUPAC name of 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride (CID 8707) is 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride.
What is the SMILES notation for 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride?
The canonical SMILES for 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride is CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1.Cl.Cl.
What is the InChIKey of 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride?
The InChIKey is FZNXAQMQVKBXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.2ClH/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4;;/h7-8,11H,5-6,9-10H2,1-4H3;2*1H.
What are the key properties of 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride?
6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride has a molecular weight of 366.36 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine;dihydrochloride is sourced from PubChem (CID 8707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).