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

C16H21N3O2S — CID 3136237

IUPACN-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N\c2ccc(C)cc2)N(CC)C1=O
InChIInChI=1S/C16H21N3O2S/c1-4-17-14(20)10-13-15(21)19(5-2)16(22-13)18-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,20)/b18-16-
InChIKeyBBJCMPPRHXMQMT-VLGSPTGOSA-N
MW319.43 g/mol
LogP2.47
Rot. Bonds5

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

N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3136237) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID3136237
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCNC(=O)CC1S/C(=N\c2ccc(C)cc2)N(CC)C1=O
InChIInChI=1S/C16H21N3O2S/c1-4-17-14(20)10-13-15(21)19(5-2)16(22-13)18-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,20)/b18-16-
InChIKeyBBJCMPPRHXMQMT-VLGSPTGOSA-N
XLogP2.47
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.47
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-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 3136237) is N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCNC(=O)CC1S/C(=N\c2ccc(C)cc2)N(CC)C1=O.
What is the InChIKey of N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is BBJCMPPRHXMQMT-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-17-14(20)10-13-15(21)19(5-2)16(22-13)18-12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,20)/b18-16-.
What are the key properties of N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-ethyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3136237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).