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

C15H16N2O2S — CID 82429146

IUPAC2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile
SMILESCCOc1ccccc1OCc1nc(CC)c(C#N)s1
InChIInChI=1S/C15H16N2O2S/c1-3-11-14(9-16)20-15(17-11)10-19-13-8-6-5-7-12(13)18-4-2/h5-8H,3-4,10H2,1-2H3
InChIKeyPCBTUIGFHYMBMJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.55
Rot. Bonds6

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

2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile (PubChem CID 82429146) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile
PubChem CID82429146
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile
SMILESCCOc1ccccc1OCc1nc(CC)c(C#N)s1
InChIInChI=1S/C15H16N2O2S/c1-3-11-14(9-16)20-15(17-11)10-19-13-8-6-5-7-12(13)18-4-2/h5-8H,3-4,10H2,1-2H3
InChIKeyPCBTUIGFHYMBMJ-UHFFFAOYSA-N
XLogP3.55
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82429101
4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82436650
2-(3,4-diethoxyphenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430209
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-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
CID 82428336
2-[(2-ethoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980798
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066
1-[4-ethyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428810
2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile
CID 82426009
1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193855
4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82429320

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile (CID 82429146) is 2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile is CCOc1ccccc1OCc1nc(CC)c(C#N)s1.
What is the InChIKey of 2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile?
The InChIKey is PCBTUIGFHYMBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-11-14(9-16)20-15(17-11)10-19-13-8-6-5-7-12(13)18-4-2/h5-8H,3-4,10H2,1-2H3.
What are the key properties of 2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile?
2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile has a molecular weight of 288.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82429146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).