2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride

C14H23Cl2N3OS — CID 14749896

IUPAC2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride
SMILESCCN(CC)CCCNc1nc2ccc(O)cc2s1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-3-17(4-2)9-5-8-15-14-16-12-7-6-11(18)10-13(12)19-14;;/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,15,16);2*1H
InChIKeySAUSYPJWKAUPBP-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.99
Rot. Bonds7

About 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride

2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride (PubChem CID 14749896) has the molecular formula C14H23Cl2N3OS and a molecular weight of 352.33 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride
PubChem CID14749896
Molecular FormulaC14H23Cl2N3OS
Molecular Weight352.33 g/mol
Exact Mass351.09
IUPAC Name2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride
SMILESCCN(CC)CCCNc1nc2ccc(O)cc2s1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-3-17(4-2)9-5-8-15-14-16-12-7-6-11(18)10-13(12)19-14;;/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,15,16);2*1H
InChIKeySAUSYPJWKAUPBP-UHFFFAOYSA-N
XLogP3.99
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol
CID 146453884
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103721021
6-bromo-N-octyl-1,3-benzothiazol-2-amine
CID 115569155
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049323
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049325
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 65169160
6-bromo-N-(4-methylpentyl)-1,3-benzothiazol-2-amine
CID 79527747
N-(1,3-benzothiazol-2-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 47446323
6-bromo-N-(3-propoxypropyl)-1,3-benzothiazol-2-amine
CID 82943869

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride?
The IUPAC name of 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride (CID 14749896) is 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride is CCN(CC)CCCNc1nc2ccc(O)cc2s1.Cl.Cl.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride?
The InChIKey is SAUSYPJWKAUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS.2ClH/c1-3-17(4-2)9-5-8-15-14-16-12-7-6-11(18)10-13(12)19-14;;/h6-7,10,18H,3-5,8-9H2,1-2H3,(H,15,16);2*1H.
What are the key properties of 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride?
2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride has a molecular weight of 352.33 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride is sourced from PubChem (CID 14749896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).