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

C10H17N3O2S — CID 3149565

IUPAC2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide
SMILESC/N=C1\SC(CC(=O)NC(C)C)C(=O)N1C
InChIInChI=1S/C10H17N3O2S/c1-6(2)12-8(14)5-7-9(15)13(4)10(11-3)16-7/h6-7H,5H2,1-4H3,(H,12,14)/b11-10-
InChIKeyCCPTZSNXZOMMRF-KHPPLWFESA-N
MW243.33 g/mol
LogP0.46
Rot. Bonds3

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

2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide (PubChem CID 3149565) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide
PubChem CID3149565
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide
SMILESC/N=C1\SC(CC(=O)NC(C)C)C(=O)N1C
InChIInChI=1S/C10H17N3O2S/c1-6(2)12-8(14)5-7-9(15)13(4)10(11-3)16-7/h6-7H,5H2,1-4H3,(H,12,14)/b11-10-
InChIKeyCCPTZSNXZOMMRF-KHPPLWFESA-N
XLogP0.46
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-cyclopropyl-2-(2-((2-methylpropyl)amino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide
CID 135591358
N-Butyl-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
CID 3149578
(2-{3-Ethyl-2-[(E)-ethylimino]-4-oxo-thiazolidin-5-yl}-acetyl)-urea
CID 645814
(E)-N-cyclohexyl-2-(3-ethyl-2-(ethylimino)-4-oxothiazolidin-5-yl)acetamide
CID 2937577
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-[2-(azaethylidene)-3-methyl-4-oxo(1,3-thiazolidin-5-yl)]-N-methylacetamide
CID 3150957
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 3585488
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide (CID 3149565) is 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide is C/N=C1\SC(CC(=O)NC(C)C)C(=O)N1C.
What is the InChIKey of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide?
The InChIKey is CCPTZSNXZOMMRF-KHPPLWFESA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)12-8(14)5-7-9(15)13(4)10(11-3)16-7/h6-7H,5H2,1-4H3,(H,12,14)/b11-10-.
What are the key properties of 2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide?
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-propan-2-ylacetamide has a molecular weight of 243.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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-propan-2-ylacetamide is sourced from PubChem (CID 3149565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).