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

C16H18N2OS — CID 82426776

IUPAC4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(CCOc2ccccc2C(C)C)sc1C#N
InChIInChI=1S/C16H18N2OS/c1-11(2)13-6-4-5-7-14(13)19-9-8-16-18-12(3)15(10-17)20-16/h4-7,11H,8-9H2,1-3H3
InChIKeyUCJXICSDAKQNAO-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.07
Rot. Bonds5

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

4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82426776) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
PubChem CID82426776
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCc1nc(CCOc2ccccc2C(C)C)sc1C#N
InChIInChI=1S/C16H18N2OS/c1-11(2)13-6-4-5-7-14(13)19-9-8-16-18-12(3)15(10-17)20-16/h4-7,11H,8-9H2,1-3H3
InChIKeyUCJXICSDAKQNAO-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile (CID 82426776) is 4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile is Cc1nc(CCOc2ccccc2C(C)C)sc1C#N.
What is the InChIKey of 4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is UCJXICSDAKQNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(2)13-6-4-5-7-14(13)19-9-8-16-18-12(3)15(10-17)20-16/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-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 4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82426776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).