N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide

C11H11N3OS — CID 1361934

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nnc(C)s1
InChIInChI=1S/C11H11N3OS/c1-8-12-13-11(16-8)14(9(2)15)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyCASXKIWREZOJSS-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.53
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide (PubChem CID 1361934) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
PubChem CID1361934
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nnc(C)s1
InChIInChI=1S/C11H11N3OS/c1-8-12-13-11(16-8)14(9(2)15)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyCASXKIWREZOJSS-UHFFFAOYSA-N
XLogP2.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide (CID 1361934) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nnc(C)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide?
The InChIKey is CASXKIWREZOJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-12-13-11(16-8)14(9(2)15)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide has a molecular weight of 233.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 1361934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).