2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide

C12H14N4OS2 — CID 673891

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(N)s2)c(C)c1
InChIInChI=1S/C12H14N4OS2/c1-7-3-4-9(8(2)5-7)14-10(17)6-18-12-16-15-11(13)19-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyLQEZRHFISQPTDI-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.47
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 673891) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID673891
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(N)s2)c(C)c1
InChIInChI=1S/C12H14N4OS2/c1-7-3-4-9(8(2)5-7)14-10(17)6-18-12-16-15-11(13)19-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyLQEZRHFISQPTDI-UHFFFAOYSA-N
XLogP2.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 698762
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
CID 2162574
2-(5-Amino-[1,3,4]thiadiazol-2-yl)-N-p-tolyl-acetamide
CID 929474
1-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)urea
CID 2476754
N-(5-((2-((3,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 4345257
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 4879084
5-{[2-oxo-2-(2,2,4,6,8-pentamethyl-1(2H)-quinolinyl)ethyl]thio}-1,3,4-thiadiazol-2-amine
CID 1260099
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 2081219
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
CID 2991656
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone
CID 845793
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide
CID 1289394
4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)butanamide
CID 2080898

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide (CID 673891) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nnc(N)s2)c(C)c1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is LQEZRHFISQPTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-7-3-4-9(8(2)5-7)14-10(17)6-18-12-16-15-11(13)19-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 294.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 673891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).