5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine

C11H12BrN3OS — CID 164859055

IUPAC5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine
SMILESCc1nc([C@@H](C)Oc2cc(Br)cnc2N)cs1
InChIInChI=1S/C11H12BrN3OS/c1-6(9-5-17-7(2)15-9)16-10-3-8(12)4-14-11(10)13/h3-6H,1-2H3,(H2,13,14)/t6-/m1/s1
InChIKeyKPIVKIGKZCINQS-ZCFIWIBFSA-N
MW314.21 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine

5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine (PubChem CID 164859055) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine
PubChem CID164859055
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine
SMILESCc1nc([C@@H](C)Oc2cc(Br)cnc2N)cs1
InChIInChI=1S/C11H12BrN3OS/c1-6(9-5-17-7(2)15-9)16-10-3-8(12)4-14-11(10)13/h3-6H,1-2H3,(H2,13,14)/t6-/m1/s1
InChIKeyKPIVKIGKZCINQS-ZCFIWIBFSA-N
XLogP3.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole
CID 164858810
5-bromo-3-[1-(1,3-thiazol-2-yl)ethoxy]pyridin-2-amine
CID 170429449
5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
CID 123369518
5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337
5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
CID 170429363
5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 164858653
5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine
CID 124675134
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
CID 170429171
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-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
CID 124675155

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine (CID 164859055) is 5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine is Cc1nc([C@@H](C)Oc2cc(Br)cnc2N)cs1.
What is the InChIKey of 5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine?
The InChIKey is KPIVKIGKZCINQS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-6(9-5-17-7(2)15-9)16-10-3-8(12)4-14-11(10)13/h3-6H,1-2H3,(H2,13,14)/t6-/m1/s1.
What are the key properties of 5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine?
5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine has a molecular weight of 314.21 g/mol, XLogP of 3.33, 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-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 164859055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).