(2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

C15H23N3O3S — CID 7224142

IUPAC(2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCC[C@H]1C[C@@H](C[C@@H](C)C(=O)Nc2nncs2)C(=O)O1
InChIInChI=1S/C15H23N3O3S/c1-3-4-5-6-12-8-11(14(20)21-12)7-10(2)13(19)17-15-18-16-9-22-15/h9-12H,3-8H2,1-2H3,(H,17,18,19)/t10-,11-,12+/m1/s1
InChIKeyFDPQTDXVQVRNLX-UTUOFQBUSA-N
MW325.43 g/mol
LogP3.01
Rot. Bonds8

About (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 7224142) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID7224142
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCC[C@H]1C[C@@H](C[C@@H](C)C(=O)Nc2nncs2)C(=O)O1
InChIInChI=1S/C15H23N3O3S/c1-3-4-5-6-12-8-11(14(20)21-12)7-10(2)13(19)17-15-18-16-9-22-15/h9-12H,3-8H2,1-2H3,(H,17,18,19)/t10-,11-,12+/m1/s1
InChIKeyFDPQTDXVQVRNLX-UTUOFQBUSA-N
XLogP3.01
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 7224142) is (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide is CCCCC[C@H]1C[C@@H](C[C@@H](C)C(=O)Nc2nncs2)C(=O)O1.
What is the InChIKey of (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is FDPQTDXVQVRNLX-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-4-5-6-12-8-11(14(20)21-12)7-10(2)13(19)17-15-18-16-9-22-15/h9-12H,3-8H2,1-2H3,(H,17,18,19)/t10-,11-,12+/m1/s1.
What are the key properties of (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 325.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[(3R,5S)-2-oxo-5-pentyloxolan-3-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 7224142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).