2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide

C11H12N4OS — CID 114172145

IUPAC2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2cnns2)cc1
InChIInChI=1S/C11H12N4OS/c1-7-2-4-8(5-3-7)10(12)11(16)14-9-6-13-15-17-9/h2-6,10H,12H2,1H3,(H,14,16)
InChIKeyNAXNJAFALAPOCN-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide

2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide (PubChem CID 114172145) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide
PubChem CID114172145
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2cnns2)cc1
InChIInChI=1S/C11H12N4OS/c1-7-2-4-8(5-3-7)10(12)11(16)14-9-6-13-15-17-9/h2-6,10H,12H2,1H3,(H,14,16)
InChIKeyNAXNJAFALAPOCN-UHFFFAOYSA-N
XLogP1.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
CID 130171145
2-amino-2-(4-methylphenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 114172141
6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide
CID 114912212
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
(2R)-2-methylsulfanyl-N-(thiadiazol-5-yl)propanamide
CID 99794343
2-amino-2-(4-methylphenyl)-N-(3-methyl-4-pyridinyl)acetamide
CID 106151710
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 120667956
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
ethyl N-(thiadiazol-5-yl)carbamate
CID 12707508
2-amino-N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)acetamide
CID 106312006
2-amino-N-[6-(dimethylamino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 106312117

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide (CID 114172145) is 2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide is Cc1ccc(C(N)C(=O)Nc2cnns2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide?
The InChIKey is NAXNJAFALAPOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-2-4-8(5-3-7)10(12)11(16)14-9-6-13-15-17-9/h2-6,10H,12H2,1H3,(H,14,16).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide?
2-amino-2-(4-methylphenyl)-N-(thiadiazol-5-yl)acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.49, 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-(thiadiazol-5-yl)acetamide is sourced from PubChem (CID 114172145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).