4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide

C14H18F2N4O4S — CID 121303819

IUPAC4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide
SMILESCC(C)(O)C(=O)N(N)C(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C14H18F2N4O4S/c1-13(2,24)12(23)20(17)11(22)9-18-8(7-25-9)10(21)19-5-3-14(15,16)4-6-19/h7,24H,3-6,17H2,1-2H3
InChIKeyCSZWIRUWFFNEIR-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.63
Rot. Bonds3

About 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide

4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 121303819) has the molecular formula C14H18F2N4O4S and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide
PubChem CID121303819
Molecular FormulaC14H18F2N4O4S
Molecular Weight376.39 g/mol
Exact Mass376.10
IUPAC Name4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide
SMILESCC(C)(O)C(=O)N(N)C(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C14H18F2N4O4S/c1-13(2,24)12(23)20(17)11(22)9-18-8(7-25-9)10(21)19-5-3-14(15,16)4-6-19/h7,24H,3-6,17H2,1-2H3
InChIKeyCSZWIRUWFFNEIR-UHFFFAOYSA-N
XLogP0.63
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)thiazole-2-carboxamide
CID 121303301
4-(4-Fluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121303668
4-(4,4-Difluoropiperidine-1-carbonyl)-N'-(2-hydroxy-2-methylpropanoyl)thiazole-2-carbohydrazide
CID 121303911
4-(4,4-Difluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121304030
4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methylbutyl)-1,3-thiazole-2-carboxamide
CID 132057623
4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide
CID 153222202
[3-Hydroxy-3-(trifluoromethyl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 137986273
(S)-N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)thiazole-2-carboxamide
CID 121303271
N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide
CID 121303272
[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 63655370
[2-(Aminomethyl)-1,3-thiazol-4-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 66380815

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide (CID 121303819) is 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide is CC(C)(O)C(=O)N(N)C(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1.
What is the InChIKey of 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is CSZWIRUWFFNEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O4S/c1-13(2,24)12(23)20(17)11(22)9-18-8(7-25-9)10(21)19-5-3-14(15,16)4-6-19/h7,24H,3-6,17H2,1-2H3.
What are the key properties of 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide?
4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 376.39 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 121303819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).