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

C12H14N4OS — CID 114172141

IUPAC2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2nc(C)ns2)cc1
InChIInChI=1S/C12H14N4OS/c1-7-3-5-9(6-4-7)10(13)11(17)15-12-14-8(2)16-18-12/h3-6,10H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyWIGWDKPSZYVNKK-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.79
Rot. Bonds3

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

2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 114172141) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID114172141
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2nc(C)ns2)cc1
InChIInChI=1S/C12H14N4OS/c1-7-3-5-9(6-4-7)10(13)11(17)15-12-14-8(2)16-18-12/h3-6,10H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyWIGWDKPSZYVNKK-UHFFFAOYSA-N
XLogP1.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976440
2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide
CID 114172145
2-amino-2-(4-methylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 106151126
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 120667956
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-phenylbutanamide
CID 114929424
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 120669325
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
2-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 106312742
2-amino-N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312006
2-amino-2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120667005
2-amino-2-(4-methylphenyl)-N-(3-methyl-4-pyridinyl)acetamide
CID 106151710

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (CID 114172141) is 2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is Cc1ccc(C(N)C(=O)Nc2nc(C)ns2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is WIGWDKPSZYVNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-3-5-9(6-4-7)10(13)11(17)15-12-14-8(2)16-18-12/h3-6,10H,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 262.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 114172141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).