N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C15H19N3O2S — CID 656011

IUPACN-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N\c2ccccc2C)N(C)C1=O
InChIInChI=1S/C15H19N3O2S/c1-4-16-13(19)9-12-14(20)18(3)15(21-12)17-11-8-6-5-7-10(11)2/h5-8,12H,4,9H2,1-3H3,(H,16,19)/b17-15-
InChIKeyFDXKWQUWOLZNDX-ICFOKQHNSA-N
MW305.40 g/mol
LogP2.08
Rot. Bonds4

About N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 656011) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID656011
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N\c2ccccc2C)N(C)C1=O
InChIInChI=1S/C15H19N3O2S/c1-4-16-13(19)9-12-14(20)18(3)15(21-12)17-11-8-6-5-7-10(11)2/h5-8,12H,4,9H2,1-3H3,(H,16,19)/b17-15-
InChIKeyFDXKWQUWOLZNDX-ICFOKQHNSA-N
XLogP2.08
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 656011) is N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCNC(=O)CC1S/C(=N\c2ccccc2C)N(C)C1=O.
What is the InChIKey of N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is FDXKWQUWOLZNDX-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-16-13(19)9-12-14(20)18(3)15(21-12)17-11-8-6-5-7-10(11)2/h5-8,12H,4,9H2,1-3H3,(H,16,19)/b17-15-.
What are the key properties of N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-methyl-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 656011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).