2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

C10H8ClN3OS2 — CID 3239760

IUPAC2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C10H8ClN3OS2/c11-7-4-2-1-3-6(7)9-13-10(17-14-9)16-5-8(12)15/h1-4H,5H2,(H2,12,15)
InChIKeyHSPNQUSBTLGEOV-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.44
Rot. Bonds4

About 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 3239760) has the molecular formula C10H8ClN3OS2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID3239760
Molecular FormulaC10H8ClN3OS2
Molecular Weight285.78 g/mol
Exact Mass284.98
IUPAC Name2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C10H8ClN3OS2/c11-7-4-2-1-3-6(7)9-13-10(17-14-9)16-5-8(12)15/h1-4H,5H2,(H2,12,15)
InChIKeyHSPNQUSBTLGEOV-UHFFFAOYSA-N
XLogP2.44
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 852341
2-((4-Amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 932674
3-(2-Chlorophenyl)-1,2,4-thiadiazol-5-amine
CID 15229854
2-((4-Amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 936305
2-((4-Amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 938471
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide
CID 852343
N-[(2-chlorophenyl)methyl]-2-{[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
CID 4148860
2-[[3-(2-Chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 4148862
2-((3-(p-Tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 6624208
2-((3-(o-Tolyl)-1,2,4-thiadiazol-5-yl)thio)acetamide
CID 7119375
2-[[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-(3,3,3-trifluoropropyl)acetamide
CID 156131864
2-{[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
CID 5061953

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 3239760) is 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is NC(=O)CSc1nc(-c2ccccc2Cl)ns1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is HSPNQUSBTLGEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS2/c11-7-4-2-1-3-6(7)9-13-10(17-14-9)16-5-8(12)15/h1-4H,5H2,(H2,12,15).
What are the key properties of 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 285.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 3239760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).