N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide

C19H25N3O3S — CID 3591293

IUPACN-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CC2S/C(=N\C(C)C)N(C(C)C)C2=O)cc1
InChIInChI=1S/C19H25N3O3S/c1-11(2)20-19-22(12(3)4)18(25)16(26-19)10-17(24)21-15-8-6-14(7-9-15)13(5)23/h6-9,11-12,16H,10H2,1-5H3,(H,21,24)/b20-19-
InChIKeyTZBRAJZCNDJQIP-VXPUYCOJSA-N
MW375.49 g/mol
LogP3.33
Rot. Bonds6

About N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide

N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 3591293) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID3591293
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CC2S/C(=N\C(C)C)N(C(C)C)C2=O)cc1
InChIInChI=1S/C19H25N3O3S/c1-11(2)20-19-22(12(3)4)18(25)16(26-19)10-17(24)21-15-8-6-14(7-9-15)13(5)23/h6-9,11-12,16H,10H2,1-5H3,(H,21,24)/b20-19-
InChIKeyTZBRAJZCNDJQIP-VXPUYCOJSA-N
XLogP3.33
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 6914760
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 5228905
N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 5226426
N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide
CID 1225011
N-(4-acetylphenyl)-2-[2-(4-ethylphenyl)imino-3-(1-methoxypropan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4001896
2-[2-(4-acetylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
CID 21368913
N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892038
2-[2-(4-acetylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 4834906
N-(4-acetylphenyl)-2-(4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 42990608
N-(4-acetylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990786
2-[(5S)-3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 27209464
N-(4-acetylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
CID 42990782

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide (CID 3591293) is N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide is CC(=O)c1ccc(NC(=O)CC2S/C(=N\C(C)C)N(C(C)C)C2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is TZBRAJZCNDJQIP-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-11(2)20-19-22(12(3)4)18(25)16(26-19)10-17(24)21-15-8-6-14(7-9-15)13(5)23/h6-9,11-12,16H,10H2,1-5H3,(H,21,24)/b20-19-.
What are the key properties of N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 3591293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).