4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide

C15H19F2N3O4S — CID 153222202

IUPAC4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)C(=O)CNC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C15H19F2N3O4S/c1-14(2,24)10(21)7-18-11(22)12-19-9(8-25-12)13(23)20-5-3-15(16,17)4-6-20/h8,24H,3-7H2,1-2H3,(H,18,22)
InChIKeyWNWWFAWTINDQLA-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.08
Rot. Bonds5

About 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide

4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide (PubChem CID 153222202) has the molecular formula C15H19F2N3O4S and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide
PubChem CID153222202
Molecular FormulaC15H19F2N3O4S
Molecular Weight375.40 g/mol
Exact Mass375.11
IUPAC Name4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(O)C(=O)CNC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1
InChIInChI=1S/C15H19F2N3O4S/c1-14(2,24)10(21)7-18-11(22)12-19-9(8-25-12)13(23)20-5-3-15(16,17)4-6-20/h8,24H,3-7H2,1-2H3,(H,18,22)
InChIKeyWNWWFAWTINDQLA-UHFFFAOYSA-N
XLogP1.08
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

(2,2-Difluoro-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 57988992
(2-Methylthiazol-4-yl)(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone trifluoroacetate
CID 66964121
(2-Methylthiazol-4-yl)(7-oxa-3,10-diazaspiro[5.6]dodecan-10-yl)methanone trifluoroacetate
CID 67292347
(4-Ethylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 68260730
(4-Methylpiperidin-1-yl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
CID 89616600
(S)-4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)thiazole-2-carboxamide
CID 121303200
4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 121303201
4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)thiazole-2-carboxamide
CID 121303301
4-(4,4-difluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropanoyl)thiazole-2-carbohydrazide
CID 121303819
4-(4,4-Difluoropiperidine-1-carbonyl)-N'-(2-hydroxy-2-methylpropanoyl)thiazole-2-carbohydrazide
CID 121303911
1-[4-(4,4-Difluoropiperidine-1-carbonyl)-1,3-thiazol-2-yl]ethanone
CID 121308347
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxy-3-methylcyclobutyl)-1,3-thiazole-2-carboxamide
CID 132056845

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide (CID 153222202) is 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide is CC(C)(O)C(=O)CNC(=O)c1nc(C(=O)N2CCC(F)(F)CC2)cs1.
What is the InChIKey of 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide?
The InChIKey is WNWWFAWTINDQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O4S/c1-14(2,24)10(21)7-18-11(22)12-19-9(8-25-12)13(23)20-5-3-15(16,17)4-6-20/h8,24H,3-7H2,1-2H3,(H,18,22).
What are the key properties of 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide?
4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidine-1-carbonyl)-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 153222202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).