5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole

C12H18F2N2S — CID 84806599

IUPAC5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
SMILESCc1nc(CC2CCCCN2)sc1C(C)(F)F
InChIInChI=1S/C12H18F2N2S/c1-8-11(12(2,13)14)17-10(16-8)7-9-5-3-4-6-15-9/h9,15H,3-7H2,1-2H3
InChIKeyLBTRGARNRKQWJI-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.25
Rot. Bonds3

About 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole

5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole (PubChem CID 84806599) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
PubChem CID84806599
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
SMILESCc1nc(CC2CCCCN2)sc1C(C)(F)F
InChIInChI=1S/C12H18F2N2S/c1-8-11(12(2,13)14)17-10(16-8)7-9-5-3-4-6-15-9/h9,15H,3-7H2,1-2H3
InChIKeyLBTRGARNRKQWJI-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole (CID 84806599) is 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole is Cc1nc(CC2CCCCN2)sc1C(C)(F)F.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is LBTRGARNRKQWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-8-11(12(2,13)14)17-10(16-8)7-9-5-3-4-6-15-9/h9,15H,3-7H2,1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole?
5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 260.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-4-methyl-2-(piperidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84806599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).