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

C14H14N2OS — CID 82426009

IUPAC2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile
SMILESCCc1ccc(OCc2nc(C)c(C#N)s2)cc1
InChIInChI=1S/C14H14N2OS/c1-3-11-4-6-12(7-5-11)17-9-14-16-10(2)13(8-15)18-14/h4-7H,3,9H2,1-2H3
InChIKeyAWBKNPDAUPYCBI-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.46
Rot. Bonds4

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

2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile (PubChem CID 82426009) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile
PubChem CID82426009
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile
SMILESCCc1ccc(OCc2nc(C)c(C#N)s2)cc1
InChIInChI=1S/C14H14N2OS/c1-3-11-4-6-12(7-5-11)17-9-14-16-10(2)13(8-15)18-14/h4-7H,3,9H2,1-2H3
InChIKeyAWBKNPDAUPYCBI-UHFFFAOYSA-N
XLogP3.46
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-cyano-4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetamide
CID 86191154
4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82426066
2-[(4-ethylphenoxy)methyl]-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219342
4-ethyl-2-[(4-ethylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82428859
4-[[4-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 24543621
2-[(4-ethylphenoxy)methyl]-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 93480458
4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82426776
2-[(4-ethylphenoxy)methyl]-4-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 20894880
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
CID 82432556
4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82429101
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82426004
2-[(3-chlorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82434280

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile (CID 82426009) is 2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile is CCc1ccc(OCc2nc(C)c(C#N)s2)cc1.
What is the InChIKey of 2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile?
The InChIKey is AWBKNPDAUPYCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-3-11-4-6-12(7-5-11)17-9-14-16-10(2)13(8-15)18-14/h4-7H,3,9H2,1-2H3.
What are the key properties of 2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile?
2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82426009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).