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

C13H19F2N3S — CID 77091277

IUPAC5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESFC1(F)CCN(Cc2cnc(N3CCCC3)s2)CC1
InChIInChI=1S/C13H19F2N3S/c14-13(15)3-7-17(8-4-13)10-11-9-16-12(19-11)18-5-1-2-6-18/h9H,1-8,10H2
InChIKeyZAWHXHCZTOKTHT-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.97
Rot. Bonds3

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

5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 77091277) has the molecular formula C13H19F2N3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID77091277
Molecular FormulaC13H19F2N3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESFC1(F)CCN(Cc2cnc(N3CCCC3)s2)CC1
InChIInChI=1S/C13H19F2N3S/c14-13(15)3-7-17(8-4-13)10-11-9-16-12(19-11)18-5-1-2-6-18/h9H,1-8,10H2
InChIKeyZAWHXHCZTOKTHT-UHFFFAOYSA-N
XLogP2.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole (CID 77091277) is 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole is FC1(F)CCN(Cc2cnc(N3CCCC3)s2)CC1.
What is the InChIKey of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is ZAWHXHCZTOKTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3S/c14-13(15)3-7-17(8-4-13)10-11-9-16-12(19-11)18-5-1-2-6-18/h9H,1-8,10H2.
What are the key properties of 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 287.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 77091277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).