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

C12H12N2O2S — CID 82366104

IUPAC4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine
SMILESCc1sc(N)c(-c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C12H12N2O2S/c1-7-8(2)17-12(13)11(7)9-3-5-10(6-4-9)14(15)16/h3-6H,13H2,1-2H3
InChIKeyYTQNSAIGDNGXAV-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.52
Rot. Bonds2

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

4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine (PubChem CID 82366104) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine
PubChem CID82366104
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine
SMILESCc1sc(N)c(-c2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C12H12N2O2S/c1-7-8(2)17-12(13)11(7)9-3-5-10(6-4-9)14(15)16/h3-6H,13H2,1-2H3
InChIKeyYTQNSAIGDNGXAV-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'}

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Related Compounds

4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
CID 82366114
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
methane;1,3,5-trimethyl-2-(4-nitrophenyl)benzene;4-(2,4,6-trimethylphenyl)aniline;hydrochloride
CID 159571615
2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
CID 67621456
4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine
CID 82366106
2-amino-5-methyl-4-(3-nitrophenyl)thiophene-3-carbonitrile
CID 154734310
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
iodomethane;4-methylaniline;bis(1-methyl-4-nitrobenzene)
CID 160667909
methanamine;4-nitroaniline
CID 22708932
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
CID 89217409
CID 89217409

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine (CID 82366104) is 4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine is Cc1sc(N)c(-c2ccc([N+](=O)[O-])cc2)c1C.
What is the InChIKey of 4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine?
The InChIKey is YTQNSAIGDNGXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-8(2)17-12(13)11(7)9-3-5-10(6-4-9)14(15)16/h3-6H,13H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine?
4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-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 4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine is sourced from PubChem (CID 82366104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).