2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile

C12H8Cl2N2S — CID 672394

IUPAC2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile
SMILESCc1sc(N)c(C#N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2S/c1-6-11(9(5-15)12(16)17-6)8-3-2-7(13)4-10(8)14/h2-4H,16H2,1H3
InChIKeyDVRYKVWTRFDYHC-UHFFFAOYSA-N
MW283.18 g/mol
LogP4.48
Rot. Bonds1

About 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile

2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile (PubChem CID 672394) has the molecular formula C12H8Cl2N2S and a molecular weight of 283.18 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile
PubChem CID672394
Molecular FormulaC12H8Cl2N2S
Molecular Weight283.18 g/mol
Exact Mass281.98
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile
SMILESCc1sc(N)c(C#N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2S/c1-6-11(9(5-15)12(16)17-6)8-3-2-7(13)4-10(8)14/h2-4H,16H2,1H3
InChIKeyDVRYKVWTRFDYHC-UHFFFAOYSA-N
XLogP4.48
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-3-cyano-4-methyl-5-phenylthiophene
CID 308248
2-Amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
5-Amino-3-(4-chlorophenyl)thiophene-2,4-dicarbonitrile
CID 15732735
2-Amino-4-(4-chlorophenyl)thiophene-3-carbonitrile
CID 15680187
2-Amino-4-(2,4-dichlorophenyl)thiophene-3-carbonitrile
CID 672395
2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene
CID 619234
4-(4-Chloro-2-fluorophenyl)-3-methylthiophen-2-amine
CID 69939455
4-(4-Chloro-3-fluorophenyl)-3-methylthiophen-2-amine
CID 69939827
2-Amino-3-cyano-4-ethyl-5-phenylthiophene
CID 592200
5-Amino-3-(3-chlorophenyl)-4-phenylthiophene-2-carbonitrile
CID 172418451
5-Amino-3-(2-chlorophenyl)-4-phenylthiophene-2-carbonitrile
CID 172418452
N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylformimidamide
CID 177255799

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile (CID 672394) is 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile is Cc1sc(N)c(C#N)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile?
The InChIKey is DVRYKVWTRFDYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2S/c1-6-11(9(5-15)12(16)17-6)8-3-2-7(13)4-10(8)14/h2-4H,16H2,1H3.
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile?
2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile has a molecular weight of 283.18 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-5-methylthiophene-3-carbonitrile is sourced from PubChem (CID 672394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).