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

C16H18N2OS — CID 82516172

IUPAC2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
SMILESCc1ccc(C(C)C)c(OCCc2nc(C#N)cs2)c1
InChIInChI=1S/C16H18N2OS/c1-11(2)14-5-4-12(3)8-15(14)19-7-6-16-18-13(9-17)10-20-16/h4-5,8,10-11H,6-7H2,1-3H3
InChIKeyJQOYSWUFXDRPCC-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.07
Rot. Bonds5

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

2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile (PubChem CID 82516172) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
PubChem CID82516172
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
SMILESCc1ccc(C(C)C)c(OCCc2nc(C#N)cs2)c1
InChIInChI=1S/C16H18N2OS/c1-11(2)14-5-4-12(3)8-15(14)19-7-6-16-18-13(9-17)10-20-16/h4-5,8,10-11H,6-7H2,1-3H3
InChIKeyJQOYSWUFXDRPCC-UHFFFAOYSA-N
XLogP4.07
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile
CID 82516153
2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
CID 82516401
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82424123
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82426776
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde
CID 82516152
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbothioamide
CID 82516151
4-(chloromethyl)-2-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-thiazole
CID 43169736
(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63649933
N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193907
butyl-methyl-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium
CID 2581375
4-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 78953385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile (CID 82516172) is 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile is Cc1ccc(C(C)C)c(OCCc2nc(C#N)cs2)c1.
What is the InChIKey of 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile?
The InChIKey is JQOYSWUFXDRPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(2)14-5-4-12(3)8-15(14)19-7-6-16-18-13(9-17)10-20-16/h4-5,8,10-11H,6-7H2,1-3H3.
What are the key properties of 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile?
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile has a molecular weight of 286.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82516172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).