4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile

C14H14N2O2S — CID 82429101

IUPAC4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(COc2ccccc2OC)sc1C#N
InChIInChI=1S/C14H14N2O2S/c1-3-10-13(8-15)19-14(16-10)9-18-12-7-5-4-6-11(12)17-2/h4-7H,3,9H2,1-2H3
InChIKeyKTNDXHMKOSQDBZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.16
Rot. Bonds5

About 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile

4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82429101) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
PubChem CID82429101
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
SMILESCCc1nc(COc2ccccc2OC)sc1C#N
InChIInChI=1S/C14H14N2O2S/c1-3-10-13(8-15)19-14(16-10)9-18-12-7-5-4-6-11(12)17-2/h4-7H,3,9H2,1-2H3
InChIKeyKTNDXHMKOSQDBZ-UHFFFAOYSA-N
XLogP3.16
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82429146
4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82438760
[4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82429108
4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82436650
4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
CID 82428336
4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82430197
2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80609217
2-[(2-methoxyphenoxy)methyl]-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219337
2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53263581
[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82438761
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
CID 82432556
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile (CID 82429101) is 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile is CCc1nc(COc2ccccc2OC)sc1C#N.
What is the InChIKey of 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is KTNDXHMKOSQDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-3-10-13(8-15)19-14(16-10)9-18-12-7-5-4-6-11(12)17-2/h4-7H,3,9H2,1-2H3.
What are the key properties of 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 274.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82429101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).