2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine

C12H12N2O2S — CID 53443585

IUPAC2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine
SMILESCc1sc(-c2cccc([N+](=O)[O-])c2)c(C)c1N
InChIInChI=1S/C12H12N2O2S/c1-7-11(13)8(2)17-12(7)9-4-3-5-10(6-9)14(15)16/h3-6H,13H2,1-2H3
InChIKeyJUGPXICKFDBXQJ-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.52
Rot. Bonds2

About 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine

2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine (PubChem CID 53443585) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine
PubChem CID53443585
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine
SMILESCc1sc(-c2cccc([N+](=O)[O-])c2)c(C)c1N
InChIInChI=1S/C12H12N2O2S/c1-7-11(13)8(2)17-12(7)9-4-3-5-10(6-9)14(15)16/h3-6H,13H2,1-2H3
InChIKeyJUGPXICKFDBXQJ-UHFFFAOYSA-N
XLogP3.52
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine 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

6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine
CID 59647247
2-amino-5-methyl-4-(3-nitrophenyl)thiophene-3-carbonitrile
CID 154734310
3-amino-4-(3-nitrophenyl)cyclobut-3-ene-1,2-dione
CID 142659202
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-methyl-3-nitrobenzene
CID 7422
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
5-methyl-6-(3-nitrophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80974718
3-(3-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 28692934
2-amino-4-(4-methylphenyl)-6-(3-nitrophenyl)benzene-1,3-dicarbonitrile
CID 2772313

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine?
The IUPAC name of 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine (CID 53443585) is 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine.
What is the SMILES notation for 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine?
The canonical SMILES for 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine is Cc1sc(-c2cccc([N+](=O)[O-])c2)c(C)c1N.
What is the InChIKey of 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine?
The InChIKey is JUGPXICKFDBXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-11(13)8(2)17-12(7)9-4-3-5-10(6-9)14(15)16/h3-6H,13H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine?
2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine has a molecular weight of 248.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine is sourced from PubChem (CID 53443585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).