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

C11H11ClN4OS — CID 155567708

IUPAC4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCCl)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C11H11ClN4OS/c12-5-1-2-9(17)14-11-16-15-10(18-11)8-3-6-13-7-4-8/h3-4,6-7H,1-2,5H2,(H,14,16,17)
InChIKeyXHYQUMYDSROHSR-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.56
Rot. Bonds5

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

4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 155567708) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID155567708
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESO=C(CCCCl)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C11H11ClN4OS/c12-5-1-2-9(17)14-11-16-15-10(18-11)8-3-6-13-7-4-8/h3-4,6-7H,1-2,5H2,(H,14,16,17)
InChIKeyXHYQUMYDSROHSR-UHFFFAOYSA-N
XLogP2.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide 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-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729806
3-(3-but-3-ynyldiazirin-3-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 167908478
2-chloro-2-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 167882589
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729811
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 695206
N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716313
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 17444449
4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 155924872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 155567708) is 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is O=C(CCCCl)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is XHYQUMYDSROHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c12-5-1-2-9(17)14-11-16-15-10(18-11)8-3-6-13-7-4-8/h3-4,6-7H,1-2,5H2,(H,14,16,17).
What are the key properties of 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 282.76 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 155567708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).