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

C14H17N3O2S — CID 135401383

IUPACN-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N\c2ccc(C)cc2)NC1=O
InChIInChI=1S/C14H17N3O2S/c1-3-15-12(18)8-11-13(19)17-14(20-11)16-10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeySPIPUZLFLQHDHO-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.74
Rot. Bonds4

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

N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135401383) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135401383
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N\c2ccc(C)cc2)NC1=O
InChIInChI=1S/C14H17N3O2S/c1-3-15-12(18)8-11-13(19)17-14(20-11)16-10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeySPIPUZLFLQHDHO-UHFFFAOYSA-N
XLogP1.74
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
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-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135401383) is N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCNC(=O)CC1S/C(=N\c2ccc(C)cc2)NC1=O.
What is the InChIKey of N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is SPIPUZLFLQHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-15-12(18)8-11-13(19)17-14(20-11)16-10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135401383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).