[2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine

C14H11F2N3S — CID 63809922

IUPAC[2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(Sc2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C14H11F2N3S/c15-10-5-4-9(7-11(10)16)20-14-12(8-17)19-6-2-1-3-13(19)18-14/h1-7H,8,17H2
InChIKeyJDSSQUXHSZNXKY-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.22
Rot. Bonds3

About [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine

[2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 63809922) has the molecular formula C14H11F2N3S and a molecular weight of 291.33 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID63809922
Molecular FormulaC14H11F2N3S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name[2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(Sc2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C14H11F2N3S/c15-10-5-4-9(7-11(10)16)20-14-12(8-17)19-6-2-1-3-13(19)18-14/h1-7H,8,17H2
InChIKeyJDSSQUXHSZNXKY-UHFFFAOYSA-N
XLogP3.22
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63806284
2-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63818326
[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 65041191
[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63809693
[2-(2-fluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanol
CID 63813667
[2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63807650
1-[2-(3-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818522
1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 63808260
2-[2-(1-methylpyrazol-4-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 63818050
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
methyl 2-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]sulfanylacetate
CID 63808201
[2-(3-fluoro-4-methylphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 107169942

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine (CID 63809922) is [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine is NCc1c(Sc2ccc(F)c(F)c2)nc2ccccn12.
What is the InChIKey of [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is JDSSQUXHSZNXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3S/c15-10-5-4-9(7-11(10)16)20-14-12(8-17)19-6-2-1-3-13(19)18-14/h1-7H,8,17H2.
What are the key properties of [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 291.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 63809922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).