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

C10H8ClN3OS — CID 852341

IUPACN-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C10H8ClN3OS/c1-6(15)12-10-13-9(14-16-10)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,14,15)
InChIKeyANNMYEPARYTKFP-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.82
Rot. Bonds2

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

N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide (PubChem CID 852341) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide
PubChem CID852341
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC NameN-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C10H8ClN3OS/c1-6(15)12-10-13-9(14-16-10)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,14,15)
InChIKeyANNMYEPARYTKFP-UHFFFAOYSA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide (CID 852341) is N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide is CC(=O)Nc1nc(-c2ccc(Cl)cc2)ns1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide?
The InChIKey is ANNMYEPARYTKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c1-6(15)12-10-13-9(14-16-10)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide?
N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide has a molecular weight of 253.71 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 852341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).