5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine

C20H24FN3O3S — CID 71462649

IUPAC5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3ccc(OCCOCCOCCF)cc3s2)cn1
InChIInChI=1S/C20H24FN3O3S/c1-24(2)19-6-3-15(14-22-19)20-23-17-5-4-16(13-18(17)28-20)27-12-11-26-10-9-25-8-7-21/h3-6,13-14H,7-12H2,1-2H3
InChIKeyGOMBAQRSDRXFRW-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.81
Rot. Bonds11

About 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine

5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 71462649) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID71462649
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3ccc(OCCOCCOCCF)cc3s2)cn1
InChIInChI=1S/C20H24FN3O3S/c1-24(2)19-6-3-15(14-22-19)20-23-17-5-4-16(13-18(17)28-20)27-12-11-26-10-9-25-8-7-21/h3-6,13-14H,7-12H2,1-2H3
InChIKeyGOMBAQRSDRXFRW-UHFFFAOYSA-N
XLogP3.81
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Diamthazole
CID 8708
N-(1-(4-(4-fluorophenoxy)butyl)-4-piperidinyl)-N-methyl-2-benzothiazolamine
CID 108043
Azd-2184
CID 16663275
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71460938
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032473
N-(6-methoxybenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032494
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
6-methoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086347
4-[[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]diazenyl]-N,N-dimethylaniline
CID 56950118
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71462648

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine (CID 71462649) is 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2nc3ccc(OCCOCCOCCF)cc3s2)cn1.
What is the InChIKey of 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is GOMBAQRSDRXFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-24(2)19-6-3-15(14-22-19)20-23-17-5-4-16(13-18(17)28-20)27-12-11-26-10-9-25-8-7-21/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine?
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 405.50 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 71462649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).