N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide

C12H11N3O2S — CID 7576719

IUPACN-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1snnc1C
InChIInChI=1S/C12H11N3O2S/c1-7-11(18-15-14-7)12(17)13-10-6-4-3-5-9(10)8(2)16/h3-6H,1-2H3,(H,13,17)
InChIKeyGLHUHWMVPLPDIS-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.30
Rot. Bonds3

About N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide

N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 7576719) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID7576719
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1snnc1C
InChIInChI=1S/C12H11N3O2S/c1-7-11(18-15-14-7)12(17)13-10-6-4-3-5-9(10)8(2)16/h3-6H,1-2H3,(H,13,17)
InChIKeyGLHUHWMVPLPDIS-UHFFFAOYSA-N
XLogP2.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide
CID 176908653
N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 7293420
N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45145420
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705
ethane;N-[2-(hydroperoxymethyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 90926144
N-isoquinolin-5-yl-4-methylthiadiazole-5-carboxamide
CID 7576784
N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
CID 103098047
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
4-bromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54933005
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
1-[(4-methylthiadiazole-5-carbonyl)amino]-3-phenylthiourea
CID 57396205

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide (CID 7576719) is N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide is CC(=O)c1ccccc1NC(=O)c1snnc1C.
What is the InChIKey of N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is GLHUHWMVPLPDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-7-11(18-15-14-7)12(17)13-10-6-4-3-5-9(10)8(2)16/h3-6H,1-2H3,(H,13,17).
What are the key properties of N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide?
N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).