N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C11H10N4O3S2 — CID 7474559

IUPACN-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CSc1nncs1
InChIInChI=1S/C11H10N4O3S2/c1-7-3-2-4-8(15(17)18)10(7)13-9(16)5-19-11-14-12-6-20-11/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyAFKMQVNQGGXVGX-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.49
Rot. Bonds5

About N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 7474559) has the molecular formula C11H10N4O3S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID7474559
Molecular FormulaC11H10N4O3S2
Molecular Weight310.36 g/mol
Exact Mass310.02
IUPAC NameN-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CSc1nncs1
InChIInChI=1S/C11H10N4O3S2/c1-7-3-2-4-8(15(17)18)10(7)13-9(16)5-19-11-14-12-6-20-11/h2-4,6H,5H2,1H3,(H,13,16)
InChIKeyAFKMQVNQGGXVGX-UHFFFAOYSA-N
XLogP2.49
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 40682580
N-(2-methyl-6-nitrophenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987889
N-(5-fluoro-2-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4781027
N-(2-methyl-6-nitrophenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7646147
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 7756005
2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 8513112
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 7404958
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-6-nitrophenyl)acetamide
CID 7877741
2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 75476904
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 4780048
N-(3,5-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532387
N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 41312659

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 7474559) is N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nncs1.
What is the InChIKey of N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is AFKMQVNQGGXVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S2/c1-7-3-2-4-8(15(17)18)10(7)13-9(16)5-19-11-14-12-6-20-11/h2-4,6H,5H2,1H3,(H,13,16).
What are the key properties of N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-nitrophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 7474559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).