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

C10H8N4O4S — CID 29370129

IUPAC2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1nncs1
InChIInChI=1S/C10H8N4O4S/c1-18-8-3-2-6(14(16)17)4-7(8)9(15)12-10-13-11-5-19-10/h2-5H,1H3,(H,12,13,15)
InChIKeyFAXVHSDEASRKLT-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.71
Rot. Bonds4

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

2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 29370129) has the molecular formula C10H8N4O4S and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID29370129
Molecular FormulaC10H8N4O4S
Molecular Weight280.26 g/mol
Exact Mass280.03
IUPAC Name2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1nncs1
InChIInChI=1S/C10H8N4O4S/c1-18-8-3-2-6(14(16)17)4-7(8)9(15)12-10-13-11-5-19-10/h2-5H,1H3,(H,12,13,15)
InChIKeyFAXVHSDEASRKLT-UHFFFAOYSA-N
XLogP1.71
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
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-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369991
2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55052407
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 112795463
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 9047280
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide
CID 9046618
2-methoxy-5-nitro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 25476125
2-chloro-3,5-dinitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 3276112
2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 113264937
2-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 63818883
2,5-dimethoxy-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850615
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 29370129) is 2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nncs1.
What is the InChIKey of 2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FAXVHSDEASRKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c1-18-8-3-2-6(14(16)17)4-7(8)9(15)12-10-13-11-5-19-10/h2-5H,1H3,(H,12,13,15).
What are the key properties of 2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 280.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 29370129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).