(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone

C14H19F2N3OS — CID 165432002

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(Cc2cncs2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H19F2N3OS/c15-14(16)2-5-19(6-3-14)13(20)11-1-4-18(8-11)9-12-7-17-10-21-12/h7,10-11H,1-6,8-9H2
InChIKeySLWUKFOPCVUHRG-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.22
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone (PubChem CID 165432002) has the molecular formula C14H19F2N3OS and a molecular weight of 315.39 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone
PubChem CID165432002
Molecular FormulaC14H19F2N3OS
Molecular Weight315.39 g/mol
Exact Mass315.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(Cc2cncs2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H19F2N3OS/c15-14(16)2-5-19(6-3-14)13(20)11-1-4-18(8-11)9-12-7-17-10-21-12/h7,10-11H,1-6,8-9H2
InChIKeySLWUKFOPCVUHRG-UHFFFAOYSA-N
XLogP2.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone (CID 165432002) is (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone is O=C(C1CCN(Cc2cncs2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone?
The InChIKey is SLWUKFOPCVUHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3OS/c15-14(16)2-5-19(6-3-14)13(20)11-1-4-18(8-11)9-12-7-17-10-21-12/h7,10-11H,1-6,8-9H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone has a molecular weight of 315.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165432002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).