(3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine

C11H14FN5S — CID 11219349

IUPAC(3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine
SMILESF[C@H]1CNCC[C@H]1NCc1cnc2snnc2c1
InChIInChI=1S/C11H14FN5S/c12-8-6-13-2-1-9(8)14-4-7-3-10-11(15-5-7)18-17-16-10/h3,5,8-9,13-14H,1-2,4,6H2/t8-,9+/m0/s1
InChIKeyRCHBGMBILSRMGZ-DTWKUNHWSA-N
MW267.33 g/mol
LogP0.88
Rot. Bonds3

About (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine

(3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine (PubChem CID 11219349) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine
PubChem CID11219349
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name(3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine
SMILESF[C@H]1CNCC[C@H]1NCc1cnc2snnc2c1
InChIInChI=1S/C11H14FN5S/c12-8-6-13-2-1-9(8)14-4-7-3-10-11(15-5-7)18-17-16-10/h3,5,8-9,13-14H,1-2,4,6H2/t8-,9+/m0/s1
InChIKeyRCHBGMBILSRMGZ-DTWKUNHWSA-N
XLogP0.88
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine (CID 11219349) is (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine is F[C@H]1CNCC[C@H]1NCc1cnc2snnc2c1.
What is the InChIKey of (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine?
The InChIKey is RCHBGMBILSRMGZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H14FN5S/c12-8-6-13-2-1-9(8)14-4-7-3-10-11(15-5-7)18-17-16-10/h3,5,8-9,13-14H,1-2,4,6H2/t8-,9+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine?
(3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 11219349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).