4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide

C12H10F3N5O3S — CID 30580944

IUPAC4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10F3N5O3S/c1-2-7-10(24-19-17-7)11(21)18-16-8-4-3-6(12(13,14)15)5-9(8)20(22)23/h3-5,16H,2H2,1H3,(H,18,21)
InChIKeyLYQPMARIPDAUSQ-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.78
Rot. Bonds5

About 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide

4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide (PubChem CID 30580944) has the molecular formula C12H10F3N5O3S and a molecular weight of 361.31 g/mol. Its IUPAC name is 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
PubChem CID30580944
Molecular FormulaC12H10F3N5O3S
Molecular Weight361.31 g/mol
Exact Mass361.05
IUPAC Name4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10F3N5O3S/c1-2-7-10(24-19-17-7)11(21)18-16-8-4-3-6(12(13,14)15)5-9(8)20(22)23/h3-5,16H,2H2,1H3,(H,18,21)
InChIKeyLYQPMARIPDAUSQ-UHFFFAOYSA-N
XLogP2.78
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
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

3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 30830165
5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1H-indazole-3-carbohydrazide
CID 78869090
N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carbohydrazide
CID 29409626
N'-[2-nitro-4-(trifluoromethyl)phenyl]quinoline-2-carbohydrazide
CID 29409127
3-(3,4-dimethoxyphenyl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propanehydrazide
CID 29408778

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide?
The IUPAC name of 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide (CID 30580944) is 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide is CCc1nnsc1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide?
The InChIKey is LYQPMARIPDAUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O3S/c1-2-7-10(24-19-17-7)11(21)18-16-8-4-3-6(12(13,14)15)5-9(8)20(22)23/h3-5,16H,2H2,1H3,(H,18,21).
What are the key properties of 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide?
4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide has a molecular weight of 361.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiadiazole-5-carbohydrazide is sourced from PubChem (CID 30580944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).