2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile

C12H8Cl2N2S — CID 82430140

IUPAC2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)sc1C#N
InChIInChI=1S/C12H8Cl2N2S/c1-2-10-11(6-15)17-12(16-10)8-4-3-7(13)5-9(8)14/h3-5H,2H2,1H3
InChIKeyBDBHXSCWPSKVLL-UHFFFAOYSA-N
MW283.18 g/mol
LogP4.55
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile

2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile (PubChem CID 82430140) has the molecular formula C12H8Cl2N2S and a molecular weight of 283.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
PubChem CID82430140
Molecular FormulaC12H8Cl2N2S
Molecular Weight283.18 g/mol
Exact Mass281.98
IUPAC Name2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)sc1C#N
InChIInChI=1S/C12H8Cl2N2S/c1-2-10-11(6-15)17-12(16-10)8-4-3-7(13)5-9(8)14/h3-5H,2H2,1H3
InChIKeyBDBHXSCWPSKVLL-UHFFFAOYSA-N
XLogP4.55
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile (CID 82430140) is 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile is CCc1nc(-c2ccc(Cl)cc2Cl)sc1C#N.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile?
The InChIKey is BDBHXSCWPSKVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2S/c1-2-10-11(6-15)17-12(16-10)8-4-3-7(13)5-9(8)14/h3-5H,2H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile?
2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile has a molecular weight of 283.18 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82430140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).