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

C9H13FN2S — CID 90291515

IUPAC2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C9H13FN2S/c1-7-6-13-9(11-7)12-4-2-3-8(10)5-12/h6,8H,2-5H2,1H3
InChIKeyLFVPJJJORZSLDZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.39
Rot. Bonds1

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

2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole (PubChem CID 90291515) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole
PubChem CID90291515
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C9H13FN2S/c1-7-6-13-9(11-7)12-4-2-3-8(10)5-12/h6,8H,2-5H2,1H3
InChIKeyLFVPJJJORZSLDZ-UHFFFAOYSA-N
XLogP2.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole (CID 90291515) is 2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole is Cc1csc(N2CCCC(F)C2)n1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole?
The InChIKey is LFVPJJJORZSLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c1-7-6-13-9(11-7)12-4-2-3-8(10)5-12/h6,8H,2-5H2,1H3.
What are the key properties of 2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole?
2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 90291515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).