5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide

C14H21F2N3OS — CID 163404189

IUPAC5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCN(C(=O)CCCCN1CCCC(F)(F)C1)c1nccs1
InChIInChI=1S/C14H21F2N3OS/c1-18(13-17-7-10-21-13)12(20)5-2-3-8-19-9-4-6-14(15,16)11-19/h7,10H,2-6,8-9,11H2,1H3
InChIKeyPMBXPKRSAFCPRH-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.01
Rot. Bonds6

About 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide

5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 163404189) has the molecular formula C14H21F2N3OS and a molecular weight of 317.40 g/mol. Its IUPAC name is 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID163404189
Molecular FormulaC14H21F2N3OS
Molecular Weight317.40 g/mol
Exact Mass317.14
IUPAC Name5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCN(C(=O)CCCCN1CCCC(F)(F)C1)c1nccs1
InChIInChI=1S/C14H21F2N3OS/c1-18(13-17-7-10-21-13)12(20)5-2-3-8-19-9-4-6-14(15,16)11-19/h7,10H,2-6,8-9,11H2,1H3
InChIKeyPMBXPKRSAFCPRH-UHFFFAOYSA-N
XLogP3.01
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide 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 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 163404189) is 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide is CN(C(=O)CCCCN1CCCC(F)(F)C1)c1nccs1.
What is the InChIKey of 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is PMBXPKRSAFCPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3OS/c1-18(13-17-7-10-21-13)12(20)5-2-3-8-19-9-4-6-14(15,16)11-19/h7,10H,2-6,8-9,11H2,1H3.
What are the key properties of 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide?
5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 317.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropiperidin-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 163404189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).