5-methyl-4-(4-nitrophenyl)thiadiazole

C9H7N3O2S — CID 15169173

IUPAC5-methyl-4-(4-nitrophenyl)thiadiazole
SMILESCc1snnc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H7N3O2S/c1-6-9(10-11-15-6)7-2-4-8(5-3-7)12(13)14/h2-5H,1H3
InChIKeyGCHIFOOAWSOJJT-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.42
Rot. Bonds2

About 5-methyl-4-(4-nitrophenyl)thiadiazole

5-methyl-4-(4-nitrophenyl)thiadiazole (PubChem CID 15169173) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-methyl-4-(4-nitrophenyl)thiadiazole.

Molecular Properties

Compound Name5-methyl-4-(4-nitrophenyl)thiadiazole
PubChem CID15169173
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC Name5-methyl-4-(4-nitrophenyl)thiadiazole
SMILESCc1snnc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H7N3O2S/c1-6-9(10-11-15-6)7-2-4-8(5-3-7)12(13)14/h2-5H,1H3
InChIKeyGCHIFOOAWSOJJT-UHFFFAOYSA-N
XLogP2.42
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-(1,2,3-Thiadiazol-4-yl)aniline
CID 2739170
4-(4-Nitrophenyl)-1,2,3-thiadiazole
CID 560748
8-Nitro-4,5-dihydrobenzo[e][1,2,3]benzothiadiazole
CID 85884309
7-Nitro-4,5-dihydrobenzo[e][1,2,3]benzothiadiazole
CID 3011116
4-(2-Nitrophenyl)-1,2,3-thiadiazole
CID 12031008
5-Chloro-4-(3-nitrophenyl)-1,2,3-thiadiazole
CID 122163435
1-(4-nitrophenyl)-N-[4-(thiadiazol-4-yl)phenyl]methanimine
CID 2739290
4-(4-Nitrophenyl)-1,2,3-selenadiazole
CID 4386498
4-[2-(Methylthio)-5-nitrophenyl]-1,2,3-thiadiazole
CID 135085518
3-Oxido-4,5-diphenylthiadiazol-3-ium
CID 15554905
Nitrophenylthiadiazole
CID 141062488
4-[(E)-2-(4-nitrophenyl)vinyl]thiadiazole
CID 5388286

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-nitrophenyl)thiadiazole?
The IUPAC name of 5-methyl-4-(4-nitrophenyl)thiadiazole (CID 15169173) is 5-methyl-4-(4-nitrophenyl)thiadiazole.
What is the SMILES notation for 5-methyl-4-(4-nitrophenyl)thiadiazole?
The canonical SMILES for 5-methyl-4-(4-nitrophenyl)thiadiazole is Cc1snnc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-methyl-4-(4-nitrophenyl)thiadiazole?
The InChIKey is GCHIFOOAWSOJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c1-6-9(10-11-15-6)7-2-4-8(5-3-7)12(13)14/h2-5H,1H3.
What are the key properties of 5-methyl-4-(4-nitrophenyl)thiadiazole?
5-methyl-4-(4-nitrophenyl)thiadiazole has a molecular weight of 221.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-nitrophenyl)thiadiazole is sourced from PubChem (CID 15169173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).