5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole

C9H13FN2S — CID 130699837

IUPAC5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole
SMILESCc1cc(C2(F)CCNCC2)sn1
InChIInChI=1S/C9H13FN2S/c1-7-6-8(13-12-7)9(10)2-4-11-5-3-9/h6,11H,2-5H2,1H3
InChIKeyQIHKLFSFUQTQOG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.00
Rot. Bonds1

About 5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole

5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole (PubChem CID 130699837) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole
PubChem CID130699837
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole
SMILESCc1cc(C2(F)CCNCC2)sn1
InChIInChI=1S/C9H13FN2S/c1-7-6-8(13-12-7)9(10)2-4-11-5-3-9/h6,11H,2-5H2,1H3
InChIKeyQIHKLFSFUQTQOG-UHFFFAOYSA-N
XLogP2.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.00
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)-3-methyl-1,2-thiazole?
The IUPAC name of 5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole (CID 130699837) is 5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole?
The canonical SMILES for 5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole is Cc1cc(C2(F)CCNCC2)sn1.
What is the InChIKey of 5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole?
The InChIKey is QIHKLFSFUQTQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-7-6-8(13-12-7)9(10)2-4-11-5-3-9/h6,11H,2-5H2,1H3.
What are the key properties of 5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole?
5-(4-fluoropiperidin-4-yl)-3-methyl-1,2-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.00, 1 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)-3-methyl-1,2-thiazole is sourced from PubChem (CID 130699837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).