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

C19H22FN3O3S — CID 71462648

IUPAC5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3ccc(OCCOCCOCCF)cc3s2)cn1
InChIInChI=1S/C19H22FN3O3S/c1-21-18-5-2-14(13-22-18)19-23-16-4-3-15(12-17(16)27-19)26-11-10-25-9-8-24-7-6-20/h2-5,12-13H,6-11H2,1H3,(H,21,22)
InChIKeyGIROMSDKGSBFPQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.78
Rot. Bonds11

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

5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine (PubChem CID 71462648) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
PubChem CID71462648
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
SMILESCNc1ccc(-c2nc3ccc(OCCOCCOCCF)cc3s2)cn1
InChIInChI=1S/C19H22FN3O3S/c1-21-18-5-2-14(13-22-18)19-23-16-4-3-15(12-17(16)27-19)26-11-10-25-9-8-24-7-6-20/h2-5,12-13H,6-11H2,1H3,(H,21,22)
InChIKeyGIROMSDKGSBFPQ-UHFFFAOYSA-N
XLogP3.78
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Azd-2184
CID 16663275
trans-(1S,2S)-2-[[6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169350
trans-(1R,2R)-2-[[6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 135169477
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
trans-(1R,2R)-2-[[6-[(2-amino-3-chloro-4-pyridinyl)methoxy]-4-fluoro-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 162661076
(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
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71462649
N-(6-fluorobenzo[d]thiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 16032531
5-Methylsulfanyl-4-{2-[4-(5-trifluoromethyl-pyridin-2-yloxy)-phenylamino]-thiazol-4-yl}-thiophene-2-carboxamidine
CID 18536939

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine (CID 71462648) is 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine is CNc1ccc(-c2nc3ccc(OCCOCCOCCF)cc3s2)cn1.
What is the InChIKey of 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine?
The InChIKey is GIROMSDKGSBFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-21-18-5-2-14(13-22-18)19-23-16-4-3-15(12-17(16)27-19)26-11-10-25-9-8-24-7-6-20/h2-5,12-13H,6-11H2,1H3,(H,21,22).
What are the key properties of 5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine?
5-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine has a molecular weight of 391.47 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 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-methylpyridin-2-amine is sourced from PubChem (CID 71462648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).