2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile

C16H18N2O2S — CID 82441236

IUPAC2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCCOc1ccc(-c2nc(COC)c(CC#N)s2)cc1
InChIInChI=1S/C16H18N2O2S/c1-3-10-20-13-6-4-12(5-7-13)16-18-14(11-19-2)15(21-16)8-9-17/h4-7H,3,8,10-11H2,1-2H3
InChIKeyKPKPFQONJOZOBT-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.81
Rot. Bonds7

About 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile

2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82441236) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
PubChem CID82441236
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCCOc1ccc(-c2nc(COC)c(CC#N)s2)cc1
InChIInChI=1S/C16H18N2O2S/c1-3-10-20-13-6-4-12(5-7-13)16-18-14(11-19-2)15(21-16)8-9-17/h4-7H,3,8,10-11H2,1-2H3
InChIKeyKPKPFQONJOZOBT-UHFFFAOYSA-N
XLogP3.81
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-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-(4-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441217
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441153
2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441375
2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82428583
2-[4-(methoxymethyl)-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441136
2-[2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82427195
2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430111
2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82430025
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82430113
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82440119

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile (CID 82441236) is 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile is CCCOc1ccc(-c2nc(COC)c(CC#N)s2)cc1.
What is the InChIKey of 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is KPKPFQONJOZOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-10-20-13-6-4-12(5-7-13)16-18-14(11-19-2)15(21-16)8-9-17/h4-7H,3,8,10-11H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile?
2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 302.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82441236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).