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

C14H18F2N4O4S — CID 121303911

IUPAC4-(4,4-difluoropiperidine-1-carbonyl)-N'-(2-hydroxy-2-methylpropanoyl)-1,3-thiazole-2-carbohydrazide
SMILESCC(C)(O)C(=O)NNC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C14H18F2N4O4S/c1-13(2,24)12(23)19-18-9(21)10-17-8(7-25-10)11(22)20-5-3-14(15,16)4-6-20/h7,24H,3-6H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyYBGBGNNBCZGXEF-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.55
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 121303911) 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 CID121303911
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)NNC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C14H18F2N4O4S/c1-13(2,24)12(23)19-18-9(21)10-17-8(7-25-10)11(22)20-5-3-14(15,16)4-6-20/h7,24H,3-6H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyYBGBGNNBCZGXEF-UHFFFAOYSA-N
XLogP0.55
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 174900156
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158373
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
2-(4-tert-butylpiperazine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696809
(6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 167713998
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558
4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 104893005
[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 164632570
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 103357450
8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47445313

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 121303911) 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)NNC(=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 YBGBGNNBCZGXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O4S/c1-13(2,24)12(23)19-18-9(21)10-17-8(7-25-10)11(22)20-5-3-14(15,16)4-6-20/h7,24H,3-6H2,1-2H3,(H,18,21)(H,19,23).
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 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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 121303911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).