2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole

C10H9N3O2S — CID 66942360

IUPAC2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole
SMILESCCc1nnc(-c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C10H9N3O2S/c1-2-9-11-12-10(16-9)7-5-3-4-6-8(7)13(14)15/h3-6H,2H2,1H3
InChIKeyDORDYJGNLRJAJX-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.68
Rot. Bonds3

About 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole

2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole (PubChem CID 66942360) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole
PubChem CID66942360
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole
SMILESCCc1nnc(-c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C10H9N3O2S/c1-2-9-11-12-10(16-9)7-5-3-4-6-8(7)13(14)15/h3-6H,2H2,1H3
InChIKeyDORDYJGNLRJAJX-UHFFFAOYSA-N
XLogP2.68
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.68
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

ethyl 5-(2-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate
CID 66942453
[2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
CID 174477773
ethyl 5-methyl-2-(2-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 116526243
5-(2-nitrophenyl)-1,2,4-thiadiazole
CID 21271844
1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652991
N-[1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62653753
3-methylsulfanyl-5-(2-nitrophenyl)-1,2,4-thiadiazole
CID 21271843
1-ethyl-3-(2-nitrophenyl)pyrazole
CID 22493260
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 101460116
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methylamino)-3-nitrobenzamide
CID 104773220
1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544321
2-[(2-nitrophenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
CID 177007553

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole (CID 66942360) is 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole is CCc1nnc(-c2ccccc2[N+](=O)[O-])s1.
What is the InChIKey of 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole?
The InChIKey is DORDYJGNLRJAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-2-9-11-12-10(16-9)7-5-3-4-6-8(7)13(14)15/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole?
2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole has a molecular weight of 235.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 66942360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).