2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C11H9N3O3S — CID 3113444

IUPAC2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H9N3O3S/c1-7-4-2-3-5-8(7)10(15)13-11-12-6-9(18-11)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeySXAHCKRILHYOCW-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.61
Rot. Bonds3

About 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide

2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 3113444) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID3113444
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H9N3O3S/c1-7-4-2-3-5-8(7)10(15)13-11-12-6-9(18-11)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeySXAHCKRILHYOCW-UHFFFAOYSA-N
XLogP2.61
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 3113444) is 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is Cc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is SXAHCKRILHYOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-7-4-2-3-5-8(7)10(15)13-11-12-6-9(18-11)14(16)17/h2-6H,1H3,(H,12,13,15).
What are the key properties of 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 263.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3113444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).