2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile

C17H20N2OS — CID 82432489

IUPAC2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
SMILESCCCc1nc(CCOc2cccc(C)c2)sc1CC#N
InChIInChI=1S/C17H20N2OS/c1-3-5-15-16(8-10-18)21-17(19-15)9-11-20-14-7-4-6-13(2)12-14/h4,6-7,12H,3,5,8-9,11H2,1-2H3
InChIKeyIBJIJGBSUYANEU-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.09
Rot. Bonds7

About 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile

2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82432489) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
PubChem CID82432489
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
SMILESCCCc1nc(CCOc2cccc(C)c2)sc1CC#N
InChIInChI=1S/C17H20N2OS/c1-3-5-15-16(8-10-18)21-17(19-15)9-11-20-14-7-4-6-13(2)12-14/h4,6-7,12H,3,5,8-9,11H2,1-2H3
InChIKeyIBJIJGBSUYANEU-UHFFFAOYSA-N
XLogP4.09
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(3-methylphenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82434784
[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82429739
2-[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82438699
1-[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429743
[2-[2-(3,4-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432524
[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432518
2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]acetonitrile
CID 43243670
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
CID 82432556
2-iodo-5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazole
CID 63383570
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505
2-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82422772
4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437143

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile (CID 82432489) is 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile is CCCc1nc(CCOc2cccc(C)c2)sc1CC#N.
What is the InChIKey of 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is IBJIJGBSUYANEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-5-15-16(8-10-18)21-17(19-15)9-11-20-14-7-4-6-13(2)12-14/h4,6-7,12H,3,5,8-9,11H2,1-2H3.
What are the key properties of 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile?
2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 300.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82432489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).