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

C14H20N2O3S — CID 7668045

IUPACN-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)NC1CC1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)10(17)6-13-16(12(19)8-20-13)7-11(18)15-9-4-5-9/h6,9H,4-5,7-8H2,1-3H3,(H,15,18)/b13-6-
InChIKeyFVSIXJYBCFOWHI-MLPAPPSSSA-N
MW296.39 g/mol
LogP1.30
Rot. Bonds4

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

N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 7668045) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID7668045
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)NC1CC1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)10(17)6-13-16(12(19)8-20-13)7-11(18)15-9-4-5-9/h6,9H,4-5,7-8H2,1-3H3,(H,15,18)/b13-6-
InChIKeyFVSIXJYBCFOWHI-MLPAPPSSSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-(1-adamantyl)-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 7667991
2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 7668117
(2E)-2-(3,3-dimethyl-2-oxobutylidene)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazolidin-4-one
CID 75364613
2-(3,3-dimethyl-2-oxobutylidene)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
CID 4144090
(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 26567149
N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20890135
(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-[2-(4-methylphenyl)sulfanylethyl]-1,3-thiazolidin-4-one
CID 7668349
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 7707000
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(propylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 7667813
N-cyclopropyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022402
N-(1-tert-butylpiperidin-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 47341054

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 7668045) is N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide is CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is FVSIXJYBCFOWHI-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(2,3)10(17)6-13-16(12(19)8-20-13)7-11(18)15-9-4-5-9/h6,9H,4-5,7-8H2,1-3H3,(H,15,18)/b13-6-.
What are the key properties of N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide?
N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 7668045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).