(4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

C9H10F2N2OS — CID 174899868

IUPAC(4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(F)(F)CC1
InChIInChI=1S/C9H10F2N2OS/c10-9(11)1-3-13(4-2-9)8(14)7-5-15-6-12-7/h5-6H,1-4H2
InChIKeyRALLAZHCNBIHEU-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.01
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

(4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 174899868) has the molecular formula C9H10F2N2OS and a molecular weight of 232.25 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID174899868
Molecular FormulaC9H10F2N2OS
Molecular Weight232.25 g/mol
Exact Mass232.05
IUPAC Name(4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(F)(F)CC1
InChIInChI=1S/C9H10F2N2OS/c10-9(11)1-3-13(4-2-9)8(14)7-5-15-6-12-7/h5-6H,1-4H2
InChIKeyRALLAZHCNBIHEU-UHFFFAOYSA-N
XLogP2.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (CID 174899868) is (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is RALLAZHCNBIHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2OS/c10-9(11)1-3-13(4-2-9)8(14)7-5-15-6-12-7/h5-6H,1-4H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 232.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 174899868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).