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

C18H15N3O3S — CID 30858602

IUPAC3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)cs1
InChIInChI=1S/C18H15N3O3S/c1-11-5-3-8-15(17(11)21(23)24)18(22)20-14-7-4-6-13(9-14)16-10-25-12(2)19-16/h3-10H,1-2H3,(H,20,22)
InChIKeyAZZPFMJKBGGOMH-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.59
Rot. Bonds4

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

3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide (PubChem CID 30858602) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide
PubChem CID30858602
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)cs1
InChIInChI=1S/C18H15N3O3S/c1-11-5-3-8-15(17(11)21(23)24)18(22)20-14-7-4-6-13(9-14)16-10-25-12(2)19-16/h3-10H,1-2H3,(H,20,22)
InChIKeyAZZPFMJKBGGOMH-UHFFFAOYSA-N
XLogP4.59
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.59
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'}

Analyze 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-nitrobenzamide
CID 16960634
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide
CID 30859161
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
2,4-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide;ethane
CID 143409150
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide?
The IUPAC name of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide (CID 30858602) is 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide?
The canonical SMILES for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide is Cc1nc(-c2cccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])c2)cs1.
What is the InChIKey of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide?
The InChIKey is AZZPFMJKBGGOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11-5-3-8-15(17(11)21(23)24)18(22)20-14-7-4-6-13(9-14)16-10-25-12(2)19-16/h3-10H,1-2H3,(H,20,22).
What are the key properties of 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide?
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide has a molecular weight of 353.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 30858602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).