2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C15H22N2O5S2 — CID 7668256

IUPAC2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O5S2/c1-15(2,3)11(18)6-14-17(13(20)8-23-14)7-12(19)16-10-4-5-24(21,22)9-10/h6,10H,4-5,7-9H2,1-3H3,(H,16,19)/b14-6-/t10-/m1/s1
InChIKeyIZTXZHMHWKHECT-WBERELSBSA-N
MW374.48 g/mol
LogP0.32
Rot. Bonds4

About 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7668256) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7668256
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O5S2/c1-15(2,3)11(18)6-14-17(13(20)8-23-14)7-12(19)16-10-4-5-24(21,22)9-10/h6,10H,4-5,7-9H2,1-3H3,(H,16,19)/b14-6-/t10-/m1/s1
InChIKeyIZTXZHMHWKHECT-WBERELSBSA-N
XLogP0.32
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 7668045
N-(1-adamantyl)-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 7667991
N-(1,3-benzodioxol-5-yl)-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 7668038
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2708847
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2503024
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928661
N-(1,1-dioxothiolan-3-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 6227123
N-(1,1-dioxothiolan-3-yl)-2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 6237415
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180879
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2646971
2-(3,3-dimethyl-2-oxobutylidene)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
CID 4144090

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 7668256) is 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is IZTXZHMHWKHECT-WBERELSBSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-15(2,3)11(18)6-14-17(13(20)8-23-14)7-12(19)16-10-4-5-24(21,22)9-10/h6,10H,4-5,7-9H2,1-3H3,(H,16,19)/b14-6-/t10-/m1/s1.
What are the key properties of 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7668256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).