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

C10H15FN2S — CID 70954946

IUPAC4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
SMILESCCc1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C10H15FN2S/c1-2-9-7-14-10(12-9)13-5-3-4-8(11)6-13/h7-8H,2-6H2,1H3
InChIKeyMMESJRKVNWQKGG-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.64
Rot. Bonds2

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

4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole (PubChem CID 70954946) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
PubChem CID70954946
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole
SMILESCCc1csc(N2CCCC(F)C2)n1
InChIInChI=1S/C10H15FN2S/c1-2-9-7-14-10(12-9)13-5-3-4-8(11)6-13/h7-8H,2-6H2,1H3
InChIKeyMMESJRKVNWQKGG-UHFFFAOYSA-N
XLogP2.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole (CID 70954946) is 4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole is CCc1csc(N2CCCC(F)C2)n1.
What is the InChIKey of 4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole?
The InChIKey is MMESJRKVNWQKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-2-9-7-14-10(12-9)13-5-3-4-8(11)6-13/h7-8H,2-6H2,1H3.
What are the key properties of 4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole?
4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-fluoropiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 70954946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).