5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole

C9H13FN2S — CID 112645695

IUPAC5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole
SMILESFC1(Cc2cncs2)CCNCC1
InChIInChI=1S/C9H13FN2S/c10-9(1-3-11-4-2-9)5-8-6-12-7-13-8/h6-7,11H,1-5H2
InChIKeyPGGCJKIPKCHDQF-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.78
Rot. Bonds2

About 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole

5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole (PubChem CID 112645695) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole
PubChem CID112645695
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole
SMILESFC1(Cc2cncs2)CCNCC1
InChIInChI=1S/C9H13FN2S/c10-9(1-3-11-4-2-9)5-8-6-12-7-13-8/h6-7,11H,1-5H2
InChIKeyPGGCJKIPKCHDQF-UHFFFAOYSA-N
XLogP1.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole (CID 112645695) is 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole is FC1(Cc2cncs2)CCNCC1.
What is the InChIKey of 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole?
The InChIKey is PGGCJKIPKCHDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c10-9(1-3-11-4-2-9)5-8-6-12-7-13-8/h6-7,11H,1-5H2.
What are the key properties of 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole?
5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole has a molecular weight of 200.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112645695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).