3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine

C12H11Cl2NS — CID 82366103

IUPAC3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C12H11Cl2NS/c1-6-7(2)16-12(15)11(6)9-4-3-8(13)5-10(9)14/h3-5H,15H2,1-2H3
InChIKeySCGKDCYJWUNOFS-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.92
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine

3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine (PubChem CID 82366103) has the molecular formula C12H11Cl2NS and a molecular weight of 272.20 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine
PubChem CID82366103
Molecular FormulaC12H11Cl2NS
Molecular Weight272.20 g/mol
Exact Mass271.00
IUPAC Name3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine
SMILESCc1sc(N)c(-c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C12H11Cl2NS/c1-6-7(2)16-12(15)11(6)9-4-3-8(13)5-10(9)14/h3-5H,15H2,1-2H3
InChIKeySCGKDCYJWUNOFS-UHFFFAOYSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine
CID 82366162
5-(2,4-dichlorophenyl)-2-methyl-1,3-thiazol-4-amine
CID 82483791
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785666
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791
4-(2,4-dichlorophenyl)-3-(5-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 43335989
3-amino-5-(2,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035980
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
3-chloro-4-(2,6-difluoro-3-methylphenyl)aniline
CID 107615986
5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47290736
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine
CID 82366106

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine (CID 82366103) is 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine is Cc1sc(N)c(-c2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine?
The InChIKey is SCGKDCYJWUNOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NS/c1-6-7(2)16-12(15)11(6)9-4-3-8(13)5-10(9)14/h3-5H,15H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine?
3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine has a molecular weight of 272.20 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 82366103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).