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

C14H14N2OS — CID 82516401

IUPAC2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
SMILESCc1ccc(C)c(OCCc2nc(C#N)cs2)c1
InChIInChI=1S/C14H14N2OS/c1-10-3-4-11(2)13(7-10)17-6-5-14-16-12(8-15)9-18-14/h3-4,7,9H,5-6H2,1-2H3
InChIKeyCGIBUYPWJDDTBT-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.25
Rot. Bonds4

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

2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile (PubChem CID 82516401) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
PubChem CID82516401
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
SMILESCc1ccc(C)c(OCCc2nc(C#N)cs2)c1
InChIInChI=1S/C14H14N2OS/c1-10-3-4-11(2)13(7-10)17-6-5-14-16-12(8-15)9-18-14/h3-4,7,9H,5-6H2,1-2H3
InChIKeyCGIBUYPWJDDTBT-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
CID 82516172
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile
CID 82516153
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432518
1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191130
2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154594
[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 82133754
N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193907
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile (CID 82516401) is 2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile is Cc1ccc(C)c(OCCc2nc(C#N)cs2)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile?
The InChIKey is CGIBUYPWJDDTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-3-4-11(2)13(7-10)17-6-5-14-16-12(8-15)9-18-14/h3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile?
2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82516401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).