6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine

C14H17FN4S — CID 90995439

IUPAC6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine
SMILESFc1ccc(NC(c2cscn2)C2CCNCC2)cn1
InChIInChI=1S/C14H17FN4S/c15-13-2-1-11(7-17-13)19-14(12-8-20-9-18-12)10-3-5-16-6-4-10/h1-2,7-10,14,16,19H,3-6H2
InChIKeyVDUYZFYSSYODGR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.83
Rot. Bonds4

About 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine

6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine (PubChem CID 90995439) has the molecular formula C14H17FN4S and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine
PubChem CID90995439
Molecular FormulaC14H17FN4S
Molecular Weight292.38 g/mol
Exact Mass292.12
IUPAC Name6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine
SMILESFc1ccc(NC(c2cscn2)C2CCNCC2)cn1
InChIInChI=1S/C14H17FN4S/c15-13-2-1-11(7-17-13)19-14(12-8-20-9-18-12)10-3-5-16-6-4-10/h1-2,7-10,14,16,19H,3-6H2
InChIKeyVDUYZFYSSYODGR-UHFFFAOYSA-N
XLogP2.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine (CID 90995439) is 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine is Fc1ccc(NC(c2cscn2)C2CCNCC2)cn1.
What is the InChIKey of 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine?
The InChIKey is VDUYZFYSSYODGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4S/c15-13-2-1-11(7-17-13)19-14(12-8-20-9-18-12)10-3-5-16-6-4-10/h1-2,7-10,14,16,19H,3-6H2.
What are the key properties of 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine?
6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine has a molecular weight of 292.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[piperidin-4-yl(1,3-thiazol-4-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 90995439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).