4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide

C12H11ClN4O2S — CID 155924872

IUPAC4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(Cl)CC(=O)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H11ClN4O2S/c1-7(13)6-9(18)10(19)15-12-17-16-11(20-12)8-2-4-14-5-3-8/h2-5,7H,6H2,1H3,(H,15,17,19)
InChIKeyIKEDOEWAXZEZKH-UHFFFAOYSA-N
MW310.77 g/mol
LogP2.13
Rot. Bonds5

About 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide

4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 155924872) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID155924872
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC Name4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(Cl)CC(=O)C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C12H11ClN4O2S/c1-7(13)6-9(18)10(19)15-12-17-16-11(20-12)8-2-4-14-5-3-8/h2-5,7H,6H2,1H3,(H,15,17,19)
InChIKeyIKEDOEWAXZEZKH-UHFFFAOYSA-N
XLogP2.13
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide 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

2-chloro-2-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 167882589
2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 695206
4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 155567708
2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166256543
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1245081
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 53369542
1-(3-propylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 166962975
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38928151

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide (CID 155924872) is 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide is CC(Cl)CC(=O)C(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is IKEDOEWAXZEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c1-7(13)6-9(18)10(19)15-12-17-16-11(20-12)8-2-4-14-5-3-8/h2-5,7H,6H2,1H3,(H,15,17,19).
What are the key properties of 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide?
4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 310.77 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 155924872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).