4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile

C16H18N2O2S — CID 82430197

IUPAC4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCCOc1ccc(-c2nc(CC)c(C#N)s2)cc1OC
InChIInChI=1S/C16H18N2O2S/c1-4-8-20-13-7-6-11(9-14(13)19-3)16-18-12(5-2)15(10-17)21-16/h6-7,9H,4-5,8H2,1-3H3
InChIKeyBUMJDJJEECRTKY-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.04
Rot. Bonds6

About 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile

4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 82430197) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
PubChem CID82430197
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
SMILESCCCOc1ccc(-c2nc(CC)c(C#N)s2)cc1OC
InChIInChI=1S/C16H18N2O2S/c1-4-8-20-13-7-6-11(9-14(13)19-3)16-18-12(5-2)15(10-17)21-16/h6-7,9H,4-5,8H2,1-3H3
InChIKeyBUMJDJJEECRTKY-UHFFFAOYSA-N
XLogP4.04
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-diethoxyphenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430209
2-[2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82427195
[2-(4-ethoxy-3-methoxyphenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099049
2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 20989432
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430183
4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82429101
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427260
2-[2-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515913
2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine
CID 129286646
[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430204
3-(3-methoxy-4-propoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 46043975

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile (CID 82430197) is 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile is CCCOc1ccc(-c2nc(CC)c(C#N)s2)cc1OC.
What is the InChIKey of 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is BUMJDJJEECRTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-4-8-20-13-7-6-11(9-14(13)19-3)16-18-12(5-2)15(10-17)21-16/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile?
4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 302.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82430197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).