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

C11H11N3OS — CID 19962111

IUPACN-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc(C)ns1
InChIInChI=1S/C11H11N3OS/c1-7-12-11(16-14-7)9-5-3-4-6-10(9)13-8(2)15/h3-6H,1-2H3,(H,13,15)
InChIKeyQAZBLBWJWACWJO-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.47
Rot. Bonds2

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

N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide (PubChem CID 19962111) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide
PubChem CID19962111
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1nc(C)ns1
InChIInChI=1S/C11H11N3OS/c1-7-12-11(16-14-7)9-5-3-4-6-10(9)13-8(2)15/h3-6H,1-2H3,(H,13,15)
InChIKeyQAZBLBWJWACWJO-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide (CID 19962111) is N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccccc1-c1nc(C)ns1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide?
The InChIKey is QAZBLBWJWACWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-12-11(16-14-7)9-5-3-4-6-10(9)13-8(2)15/h3-6H,1-2H3,(H,13,15).
What are the key properties of N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide?
N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide has a molecular weight of 233.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 19962111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).