2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile

C16H18N2O2S — CID 82432556

IUPAC2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
SMILESCCCc1nc(CCOc2ccc(OC)cc2)sc1C#N
InChIInChI=1S/C16H18N2O2S/c1-3-4-14-15(11-17)21-16(18-14)9-10-20-13-7-5-12(19-2)6-8-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyNENCPCYHIMKJDE-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.60
Rot. Bonds7

About 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile

2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile (PubChem CID 82432556) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
PubChem CID82432556
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
SMILESCCCc1nc(CCOc2ccc(OC)cc2)sc1C#N
InChIInChI=1S/C16H18N2O2S/c1-3-4-14-15(11-17)21-16(18-14)9-10-20-13-7-5-12(19-2)6-8-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyNENCPCYHIMKJDE-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82431269
4-ethyl-2-(2-methoxyethyl)-1,3-thiazole-5-carbonitrile
CID 82428336
1-[4-ethyl-2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429925
2-[2-(4-fluorophenoxy)ethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94760645
[2-[2-(4-ethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432505
2-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carbonitrile
CID 82441073
2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
CID 82432489
4-propyl-2-(propylsulfanylmethyl)-1,3-thiazole-5-carbonitrile
CID 82432148
4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437143
[2-[2-(3,4-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432524
4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436135
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424084

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile (CID 82432556) is 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile is CCCc1nc(CCOc2ccc(OC)cc2)sc1C#N.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile?
The InChIKey is NENCPCYHIMKJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-4-14-15(11-17)21-16(18-14)9-10-20-13-7-5-12(19-2)6-8-13/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile?
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile has a molecular weight of 302.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82432556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).