4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile

C16H16N2O2S — CID 82436650

IUPAC4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
SMILESCCOc1ccccc1OCc1nc(C2CC2)c(C#N)s1
InChIInChI=1S/C16H16N2O2S/c1-2-19-12-5-3-4-6-13(12)20-10-15-18-16(11-7-8-11)14(9-17)21-15/h3-6,11H,2,7-8,10H2,1H3
InChIKeyAJXLOJTZTZYSRL-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.87
Rot. Bonds6

About 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile

4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82436650) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
PubChem CID82436650
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
SMILESCCOc1ccccc1OCc1nc(C2CC2)c(C#N)s1
InChIInChI=1S/C16H16N2O2S/c1-2-19-12-5-3-4-6-13(12)20-10-15-18-16(11-7-8-11)14(9-17)21-15/h3-6,11H,2,7-8,10H2,1H3
InChIKeyAJXLOJTZTZYSRL-UHFFFAOYSA-N
XLogP3.87
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-ethoxyphenoxy)methyl]-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82429146
4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436102
4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437164
4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82429101
4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437143
4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82438760
4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436117
1-[4-cyclopropyl-2-[(2-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82436492
1-[2-[(2-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]ethanamine
CID 82436599
1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436409
[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437246
2-[(2-ethoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980798

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile (CID 82436650) is 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile is CCOc1ccccc1OCc1nc(C2CC2)c(C#N)s1.
What is the InChIKey of 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is AJXLOJTZTZYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-19-12-5-3-4-6-13(12)20-10-15-18-16(11-7-8-11)14(9-17)21-15/h3-6,11H,2,7-8,10H2,1H3.
What are the key properties of 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile?
4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 300.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82436650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).