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

C15H16N2OS — CID 82516153

IUPAC2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile
SMILESCc1ccc(C(C)C)c(OCc2nc(C#N)cs2)c1
InChIInChI=1S/C15H16N2OS/c1-10(2)13-5-4-11(3)6-14(13)18-8-15-17-12(7-16)9-19-15/h4-6,9-10H,8H2,1-3H3
InChIKeyHRASRXORCBZUDS-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.03
Rot. Bonds4

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

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile (PubChem CID 82516153) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile
PubChem CID82516153
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile
SMILESCc1ccc(C(C)C)c(OCc2nc(C#N)cs2)c1
InChIInChI=1S/C15H16N2OS/c1-10(2)13-5-4-11(3)6-14(13)18-8-15-17-12(7-16)9-19-15/h4-6,9-10H,8H2,1-3H3
InChIKeyHRASRXORCBZUDS-UHFFFAOYSA-N
XLogP4.03
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.03
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
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
2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
CID 82516401
4-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 78953385
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 63888861
2-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82424123
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80610433
N-[3-[(4-bromobenzoyl)amino]propyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106312
[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methanethiol
CID 82133754
(1R)-1-[4-methyl-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63649933
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]benzonitrile
CID 63639624

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile (CID 82516153) is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile is Cc1ccc(C(C)C)c(OCc2nc(C#N)cs2)c1.
What is the InChIKey of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile?
The InChIKey is HRASRXORCBZUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10(2)13-5-4-11(3)6-14(13)18-8-15-17-12(7-16)9-19-15/h4-6,9-10H,8H2,1-3H3.
What are the key properties of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile?
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile has a molecular weight of 272.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82516153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).