2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide

C13H23N3O3S — CID 3585488

IUPAC2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESC/N=C1\SC(CC(=O)NCCCOC(C)C)C(=O)N1C
InChIInChI=1S/C13H23N3O3S/c1-9(2)19-7-5-6-15-11(17)8-10-12(18)16(4)13(14-3)20-10/h9-10H,5-8H2,1-4H3,(H,15,17)/b14-13-
InChIKeyRTDSPZBRUBBPOB-YPKPFQOOSA-N
MW301.41 g/mol
LogP0.87
Rot. Bonds7

About 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 3585488) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID3585488
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESC/N=C1\SC(CC(=O)NCCCOC(C)C)C(=O)N1C
InChIInChI=1S/C13H23N3O3S/c1-9(2)19-7-5-6-15-11(17)8-10-12(18)16(4)13(14-3)20-10/h9-10H,5-8H2,1-4H3,(H,15,17)/b14-13-
InChIKeyRTDSPZBRUBBPOB-YPKPFQOOSA-N
XLogP0.87
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-N-isopropyl-acetamide
CID 3149561
N-Butyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149578
N-Ethyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149567
2-(3-Ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)acetamide
CID 3149571
N-butyl-2-[(2Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3150952
2-[(2Z)-3-butyl-2-(butylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3585489
2-[2-(azaethylidene)-4-oxo(1,3-thiazolidin-5-yl)]-N-ethylacetamide
CID 135511729
(E)-N-isopropyl-2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3149565
(E)-N-ethyl-2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamide
CID 3149576
1-methyl-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 5338468
(E)-N-(3-methoxypropyl)-2-(3-methyl-2-(methylimino)-4-oxothiazolidin-5-yl)acetamide
CID 16456136
2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methoxypropyl)acetamide
CID 16456151

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 3585488) is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide is C/N=C1\SC(CC(=O)NCCCOC(C)C)C(=O)N1C.
What is the InChIKey of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is RTDSPZBRUBBPOB-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-9(2)19-7-5-6-15-11(17)8-10-12(18)16(4)13(14-3)20-10/h9-10H,5-8H2,1-4H3,(H,15,17)/b14-13-.
What are the key properties of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 3585488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).