2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide

C10H9N5O3S — CID 29369991

IUPAC2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nncs1
InChIInChI=1S/C10H9N5O3S/c1-11-8-3-2-6(15(17)18)4-7(8)9(16)13-10-14-12-5-19-10/h2-5,11H,1H3,(H,13,14,16)
InChIKeyOOKRANUUWUJYPJ-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.74
Rot. Bonds4

About 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide

2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29369991) has the molecular formula C10H9N5O3S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29369991
Molecular FormulaC10H9N5O3S
Molecular Weight279.28 g/mol
Exact Mass279.04
IUPAC Name2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nncs1
InChIInChI=1S/C10H9N5O3S/c1-11-8-3-2-6(15(17)18)4-7(8)9(16)13-10-14-12-5-19-10/h2-5,11H,1H3,(H,13,14,16)
InChIKeyOOKRANUUWUJYPJ-UHFFFAOYSA-N
XLogP1.74
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.74
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

2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55052407
2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370129
2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 113264937
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 37201234
2-(methylamino)-5-nitro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 16962208
2-chloro-3,5-dinitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 3276112
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
2-(methylamino)-N-(1-methylpyrazol-3-yl)-5-nitrobenzamide
CID 16962880
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29369991) is 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nncs1.
What is the InChIKey of 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is OOKRANUUWUJYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3S/c1-11-8-3-2-6(15(17)18)4-7(8)9(16)13-10-14-12-5-19-10/h2-5,11H,1H3,(H,13,14,16).
What are the key properties of 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 279.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29369991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).