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

C10H8ClN3OS — CID 44669111

IUPAC2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
SMILESO=C(CCl)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C10H8ClN3OS/c11-6-8(15)12-10-13-9(16-14-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14,15)
InChIKeyVUNFVGABWSAHLZ-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.38
Rot. Bonds3

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

2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide (PubChem CID 44669111) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
PubChem CID44669111
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
SMILESO=C(CCl)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C10H8ClN3OS/c11-6-8(15)12-10-13-9(16-14-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14,15)
InChIKeyVUNFVGABWSAHLZ-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]acetamide
CID 44669186
(5-phenyl-1,2,4-thiadiazol-3-yl)urea
CID 13131314
1-phenyl-3-(5-phenyl-1,2,4-thiadiazol-3-yl)urea
CID 102116941
4-fluoro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241556
2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241558
N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chloroacetamide
CID 35794344
N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155917637
3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241566
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 4256680
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-chloro-N-(2-phenylpyrimidin-5-yl)acetamide
CID 43699755
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 2243219

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide (CID 44669111) is 2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide is O=C(CCl)Nc1nsc(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide?
The InChIKey is VUNFVGABWSAHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-6-8(15)12-10-13-9(16-14-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,14,15).
What are the key properties of 2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide?
2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide has a molecular weight of 253.71 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide is sourced from PubChem (CID 44669111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).