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

C10H15FN2S — CID 163385852

IUPAC5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CC2(F)CCNCC2)s1
InChIInChI=1S/C10H15FN2S/c1-8-13-7-9(14-8)6-10(11)2-4-12-5-3-10/h7,12H,2-6H2,1H3
InChIKeyYSOVYJLVCZHPFH-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.09
Rot. Bonds2

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

5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 163385852) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID163385852
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CC2(F)CCNCC2)s1
InChIInChI=1S/C10H15FN2S/c1-8-13-7-9(14-8)6-10(11)2-4-12-5-3-10/h7,12H,2-6H2,1H3
InChIKeyYSOVYJLVCZHPFH-UHFFFAOYSA-N
XLogP2.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.09
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]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole (CID 163385852) is 5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole is Cc1ncc(CC2(F)CCNCC2)s1.
What is the InChIKey of 5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is YSOVYJLVCZHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-8-13-7-9(14-8)6-10(11)2-4-12-5-3-10/h7,12H,2-6H2,1H3.
What are the key properties of 5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole?
5-[(4-fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.09, 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]-2-methyl-1,3-thiazole is sourced from PubChem (CID 163385852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).