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

C11H10ClN3OS — CID 903149

IUPAC2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClN3OS/c1-7-14-15-11(17-7)13-10(16)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyUUMGFAYTIYWESQ-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.68
Rot. Bonds3

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

2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 903149) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID903149
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClN3OS/c1-7-14-15-11(17-7)13-10(16)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyUUMGFAYTIYWESQ-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71765040
2-(4-chlorophenyl)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 965762
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 975548
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3120394
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 3158290
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 23724219
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 665668
2-phenyl-N-[5-(2-sulfanylideneethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 57149559
N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 647858
N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684148
N-(5-Phenethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 747161
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide
CID 118716290

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 903149) is 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UUMGFAYTIYWESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7-14-15-11(17-7)13-10(16)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,13,15,16).
What are the key properties of 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 267.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 903149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).