N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine

C13H10FN3S — CID 156786531

IUPACN-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine
SMILESFc1cccc(CNc2nsc3ncccc23)c1
InChIInChI=1S/C13H10FN3S/c14-10-4-1-3-9(7-10)8-16-12-11-5-2-6-15-13(11)18-17-12/h1-7H,8H2,(H,16,17)
InChIKeyAYXMOHQEUXXFJT-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.44
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine

N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine (PubChem CID 156786531) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine
PubChem CID156786531
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC NameN-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine
SMILESFc1cccc(CNc2nsc3ncccc23)c1
InChIInChI=1S/C13H10FN3S/c14-10-4-1-3-9(7-10)8-16-12-11-5-2-6-15-13(11)18-17-12/h1-7H,8H2,(H,16,17)
InChIKeyAYXMOHQEUXXFJT-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine (CID 156786531) is N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine is Fc1cccc(CNc2nsc3ncccc23)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine?
The InChIKey is AYXMOHQEUXXFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-10-4-1-3-9(7-10)8-16-12-11-5-2-6-15-13(11)18-17-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine?
N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine has a molecular weight of 259.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-[1,2]thiazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 156786531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).