4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile

C17H18N2OS — CID 82437143

IUPAC4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCCc1cccc(OCCc2nc(C3CC3)c(C#N)s2)c1
InChIInChI=1S/C17H18N2OS/c1-2-12-4-3-5-14(10-12)20-9-8-16-19-17(13-6-7-13)15(11-18)21-16/h3-5,10,13H,2,6-9H2,1H3
InChIKeyVICHPSBDNKNSSH-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.08
Rot. Bonds6

About 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile

4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82437143) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
PubChem CID82437143
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCCc1cccc(OCCc2nc(C3CC3)c(C#N)s2)c1
InChIInChI=1S/C17H18N2OS/c1-2-12-4-3-5-14(10-12)20-9-8-16-19-17(13-6-7-13)15(11-18)21-16/h3-5,10,13H,2,6-9H2,1H3
InChIKeyVICHPSBDNKNSSH-UHFFFAOYSA-N
XLogP4.08
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
1-[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82436503
4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82436650
4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436117
1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193897
2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82423868
[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 82437103
2-[2-(4-methoxyphenoxy)ethyl]-4-propyl-1,3-thiazole-5-carbonitrile
CID 82432556
2-[2-[2-(3-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]acetonitrile
CID 82432489
3-[(3-ethylphenoxy)methyl]azetidine
CID 70653754
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437848

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile (CID 82437143) is 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile is CCc1cccc(OCCc2nc(C3CC3)c(C#N)s2)c1.
What is the InChIKey of 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is VICHPSBDNKNSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-12-4-3-5-14(10-12)20-9-8-16-19-17(13-6-7-13)15(11-18)21-16/h3-5,10,13H,2,6-9H2,1H3.
What are the key properties of 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 298.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82437143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).