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

C12H12ClN3OS — CID 852343

IUPACN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nsc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3OS/c1-7(2)10(17)14-12-15-11(18-16-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,16,17)
InChIKeyVIFWKNZCMNLBQJ-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.45
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide (PubChem CID 852343) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide
PubChem CID852343
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC NameN-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nsc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3OS/c1-7(2)10(17)14-12-15-11(18-16-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,16,17)
InChIKeyVIFWKNZCMNLBQJ-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide (CID 852343) is N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nsc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide?
The InChIKey is VIFWKNZCMNLBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7(2)10(17)14-12-15-11(18-16-12)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H,14,16,17).
What are the key properties of N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide?
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide has a molecular weight of 281.77 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 852343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).