N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide

C11H9N3O3S — CID 902953

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
SMILESCc1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H9N3O3S/c1-7-6-18-11(12-7)13-10(15)8-4-2-3-5-9(8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyUESMENZTPUJSFR-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.61
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide

N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide (PubChem CID 902953) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
PubChem CID902953
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
SMILESCc1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H9N3O3S/c1-7-6-18-11(12-7)13-10(15)8-4-2-3-5-9(8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyUESMENZTPUJSFR-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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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 24555768
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 7193011
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-nitrobenzoyl)piperidine-4-carboxamide
CID 47067553
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 891253
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 4200583
3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
CID 37018543
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 2679272
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110463533
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 5189865

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide (CID 902953) is N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide is Cc1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The InChIKey is UESMENZTPUJSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-7-6-18-11(12-7)13-10(15)8-4-2-3-5-9(8)14(16)17/h2-6H,1H3,(H,12,13,15).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide 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 N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide is sourced from PubChem (CID 902953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).