2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide

C11H11N5O3S — CID 115937021

IUPAC2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
SMILESCc1cnc(NC(=O)c2cccc([N+](=O)[O-])c2NN)s1
InChIInChI=1S/C11H11N5O3S/c1-6-5-13-11(20-6)14-10(17)7-3-2-4-8(16(18)19)9(7)15-12/h2-5,15H,12H2,1H3,(H,13,14,17)
InChIKeyRLEWAUHLECSEOP-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.90
Rot. Bonds4

About 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide

2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide (PubChem CID 115937021) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
PubChem CID115937021
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
SMILESCc1cnc(NC(=O)c2cccc([N+](=O)[O-])c2NN)s1
InChIInChI=1S/C11H11N5O3S/c1-6-5-13-11(20-6)14-10(17)7-3-2-4-8(16(18)19)9(7)15-12/h2-5,15H,12H2,1H3,(H,13,14,17)
InChIKeyRLEWAUHLECSEOP-UHFFFAOYSA-N
XLogP1.90
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide
CID 114914479
3-(methylamino)-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 115548311
5-fluoro-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 51889946
2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
CID 115937008
N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide
CID 115937226
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 112580702
2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 47028167
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
CID 113355013
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide (CID 115937021) is 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide is Cc1cnc(NC(=O)c2cccc([N+](=O)[O-])c2NN)s1.
What is the InChIKey of 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
The InChIKey is RLEWAUHLECSEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-6-5-13-11(20-6)14-10(17)7-3-2-4-8(16(18)19)9(7)15-12/h2-5,15H,12H2,1H3,(H,13,14,17).
What are the key properties of 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide?
2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide has a molecular weight of 293.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide is sourced from PubChem (CID 115937021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).