1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile

C12H12FN5S — CID 144865545

IUPAC1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(c2nc3c(F)cnc(N)c3s2)C1
InChIInChI=1S/C12H12FN5S/c13-8-5-16-11(15)10-9(8)17-12(19-10)18-3-1-2-7(4-14)6-18/h5,7H,1-3,6H2,(H2,15,16)
InChIKeyAOSDGBBWZVDXEK-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.15
Rot. Bonds1

About 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile

1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile (PubChem CID 144865545) has the molecular formula C12H12FN5S and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile
PubChem CID144865545
Molecular FormulaC12H12FN5S
Molecular Weight277.33 g/mol
Exact Mass277.08
IUPAC Name1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(c2nc3c(F)cnc(N)c3s2)C1
InChIInChI=1S/C12H12FN5S/c13-8-5-16-11(15)10-9(8)17-12(19-10)18-3-1-2-7(4-14)6-18/h5,7H,1-3,6H2,(H2,15,16)
InChIKeyAOSDGBBWZVDXEK-UHFFFAOYSA-N
XLogP2.15
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile?
The IUPAC name of 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile (CID 144865545) is 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile is N#CC1CCCN(c2nc3c(F)cnc(N)c3s2)C1.
What is the InChIKey of 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile?
The InChIKey is AOSDGBBWZVDXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5S/c13-8-5-16-11(15)10-9(8)17-12(19-10)18-3-1-2-7(4-14)6-18/h5,7H,1-3,6H2,(H2,15,16).
What are the key properties of 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile?
1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carbonitrile is sourced from PubChem (CID 144865545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).