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

C9H7ClN4OS — CID 141226411

IUPAC2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CCl)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C9H7ClN4OS/c10-5-7(15)12-9-14-13-8(16-9)6-1-3-11-4-2-6/h1-4H,5H2,(H,12,14,15)
InChIKeyKISPFRZBKBJHTE-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.78
Rot. Bonds3

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

2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 141226411) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID141226411
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CCl)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C9H7ClN4OS/c10-5-7(15)12-9-14-13-8(16-9)6-1-3-11-4-2-6/h1-4H,5H2,(H,12,14,15)
InChIKeyKISPFRZBKBJHTE-UHFFFAOYSA-N
XLogP1.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 155567708
4-[5-[(2-chloroacetyl)amino]-1,3,4-thiadiazol-2-yl]benzoic acid
CID 121006067
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
2-chloro-2-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 167882589
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 695206
4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 155924872
3-(3-but-3-ynyldiazirin-3-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 167908478
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
2-chloro-N-[5-(2,3-difluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 168719703
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1245081
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 141226411) is 2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(CCl)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KISPFRZBKBJHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c10-5-7(15)12-9-14-13-8(16-9)6-1-3-11-4-2-6/h1-4H,5H2,(H,12,14,15).
What are the key properties of 2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 254.70 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 141226411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).