2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

C11H11N3OS — CID 647921

IUPAC2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2nncs2)cc1
InChIInChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)6-10(15)13-11-14-12-7-16-11/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyYFGRTFJWFOFHOS-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.03
Rot. Bonds3

About 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 647921) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID647921
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2nncs2)cc1
InChIInChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)6-10(15)13-11-14-12-7-16-11/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyYFGRTFJWFOFHOS-UHFFFAOYSA-N
XLogP2.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(4-propan-2-ylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 898906
N-(1,3,4-Thiadiazol-2-yl)benzamide
CID 569548
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
2-phenyl-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]acetamide
CID 1395238
1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 976753
2-phenyl-2-(phenylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 2862025
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 839901
(E)-3-(4-tert-butylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 844289
3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 871225
4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1086939
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenylcyclopropanecarboxamide
CID 2862715
2-phenyl-N-(2-propyltetrazol-5-yl)acetamide
CID 893243

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 647921) is 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1ccc(CC(=O)Nc2nncs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YFGRTFJWFOFHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)6-10(15)13-11-14-12-7-16-11/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 233.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 647921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).