5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine

C14H11BrFN3OS — CID 124675134

IUPAC5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cc(Br)cnc1N)c1cc(F)cc2scnc12
InChIInChI=1S/C14H11BrFN3OS/c1-7(20-11-2-8(15)5-18-14(11)17)10-3-9(16)4-12-13(10)19-6-21-12/h2-7H,1H3,(H2,17,18)/t7-/m1/s1
InChIKeyWLNAKZWGBOAQOF-SSDOTTSWSA-N
MW368.23 g/mol
LogP4.32
Rot. Bonds3

About 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine

5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine (PubChem CID 124675134) has the molecular formula C14H11BrFN3OS and a molecular weight of 368.23 g/mol. Its IUPAC name is 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine
PubChem CID124675134
Molecular FormulaC14H11BrFN3OS
Molecular Weight368.23 g/mol
Exact Mass366.98
IUPAC Name5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cc(Br)cnc1N)c1cc(F)cc2scnc12
InChIInChI=1S/C14H11BrFN3OS/c1-7(20-11-2-8(15)5-18-14(11)17)10-3-9(16)4-12-13(10)19-6-21-12/h2-7H,1H3,(H2,17,18)/t7-/m1/s1
InChIKeyWLNAKZWGBOAQOF-SSDOTTSWSA-N
XLogP4.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
CID 124675155
5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746
5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
CID 170429363
5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
CID 123369518
5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 164858653
5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337
5-bromo-3-[1-(1,3-thiazol-2-yl)ethoxy]pyridin-2-amine
CID 170429449
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine
CID 164859055
5-bromo-3-[1-[4-chloro-2-(dimethylamino)-5-fluorophenyl]ethoxy]pyridin-2-amine
CID 118555269
6-fluoro-4-methyl-1,3-benzothiazole
CID 53413085

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine (CID 124675134) is 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine is C[C@@H](Oc1cc(Br)cnc1N)c1cc(F)cc2scnc12.
What is the InChIKey of 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine?
The InChIKey is WLNAKZWGBOAQOF-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H11BrFN3OS/c1-7(20-11-2-8(15)5-18-14(11)17)10-3-9(16)4-12-13(10)19-6-21-12/h2-7H,1H3,(H2,17,18)/t7-/m1/s1.
What are the key properties of 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine?
5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine has a molecular weight of 368.23 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 124675134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).