2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile

C13H10Cl2N2S — CID 82430143

IUPAC2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)sc1CC#N
InChIInChI=1S/C13H10Cl2N2S/c1-2-11-12(5-6-16)18-13(17-11)9-4-3-8(14)7-10(9)15/h3-4,7H,2,5H2,1H3
InChIKeyPUWCXTZWIUAFEV-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.75
Rot. Bonds3

About 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile

2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82430143) has the molecular formula C13H10Cl2N2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile
PubChem CID82430143
Molecular FormulaC13H10Cl2N2S
Molecular Weight297.21 g/mol
Exact Mass295.99
IUPAC Name2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)sc1CC#N
InChIInChI=1S/C13H10Cl2N2S/c1-2-11-12(5-6-16)18-13(17-11)9-4-3-8(14)7-10(9)15/h3-4,7H,2,5H2,1H3
InChIKeyPUWCXTZWIUAFEV-UHFFFAOYSA-N
XLogP4.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430140
[2-(2,4-dichlorophenyl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432702
2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82428583
[2-(4-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840990
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193718
2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82430025
[2-(4-chloro-2-fluorophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 122476710
N-[[2-(2-chloro-4-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842167
4-(2,4-dichlorophenyl)-5-ethyl-1,3-thiazol-2-amine
CID 28864557
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360505

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile (CID 82430143) is 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile is CCc1nc(-c2ccc(Cl)cc2Cl)sc1CC#N.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is PUWCXTZWIUAFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2S/c1-2-11-12(5-6-16)18-13(17-11)9-4-3-8(14)7-10(9)15/h3-4,7H,2,5H2,1H3.
What are the key properties of 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile?
2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 297.21 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82430143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).