3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

C16H19N5O2S — CID 18132515

IUPAC3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCN1CCSC1=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H19N5O2S/c22-15(5-6-20-7-8-24-16(20)23)18-9-13-1-3-14(4-2-13)10-21-12-17-11-19-21/h1-4,11-12H,5-10H2,(H,18,22)
InChIKeyQOILEVJHKJWOIJ-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.50
Rot. Bonds7

About 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide

3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 18132515) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID18132515
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCN1CCSC1=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H19N5O2S/c22-15(5-6-20-7-8-24-16(20)23)18-9-13-1-3-14(4-2-13)10-21-12-17-11-19-21/h1-4,11-12H,5-10H2,(H,18,22)
InChIKeyQOILEVJHKJWOIJ-UHFFFAOYSA-N
XLogP1.50
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 107232666
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 18132525
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114182021
N-[(3-chlorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 17400594
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18119409
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18108119
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55681416
2-(3,4-dimethylphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 18132316
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 32627824
4-(3,4-dimethylphenyl)-4-oxo-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 18132539
N-[4-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 55653197
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 18105827

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide (CID 18132515) is 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCN1CCSC1=O)NCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is QOILEVJHKJWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-15(5-6-20-7-8-24-16(20)23)18-9-13-1-3-14(4-2-13)10-21-12-17-11-19-21/h1-4,11-12H,5-10H2,(H,18,22).
What are the key properties of 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 345.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazolidin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 18132515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).