ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate

C18H25NO2S — CID 145363237

IUPACethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate
SMILESCC.CCc1ccc(-c2nc(C)c(CCC(=O)OC)s2)cc1
InChIInChI=1S/C16H19NO2S.C2H6/c1-4-12-5-7-13(8-6-12)16-17-11(2)14(20-16)9-10-15(18)19-3;1-2/h5-8H,4,9-10H2,1-3H3;1-2H3
InChIKeyCMTYXWZEZZTPOP-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.81
Rot. Bonds5

About ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate

ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate (PubChem CID 145363237) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Nameethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate
PubChem CID145363237
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Nameethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate
SMILESCC.CCc1ccc(-c2nc(C)c(CCC(=O)OC)s2)cc1
InChIInChI=1S/C16H19NO2S.C2H6/c1-4-12-5-7-13(8-6-12)16-17-11(2)14(20-16)9-10-15(18)19-3;1-2/h5-8H,4,9-10H2,1-3H3;1-2H3
InChIKeyCMTYXWZEZZTPOP-UHFFFAOYSA-N
XLogP4.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]butanoic acid
CID 145363135
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82044101
3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82437399
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7517999
ethane;2-[2-[4-(2-methoxyethoxymethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]ethyl nitrate
CID 143129410
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxyacetamide
CID 7518024
methyl 5-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 122477008
2-[[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 145363227
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide
CID 7503000
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate?
The IUPAC name of ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate (CID 145363237) is ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate is CC.CCc1ccc(-c2nc(C)c(CCC(=O)OC)s2)cc1.
What is the InChIKey of ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate?
The InChIKey is CMTYXWZEZZTPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S.C2H6/c1-4-12-5-7-13(8-6-12)16-17-11(2)14(20-16)9-10-15(18)19-3;1-2/h5-8H,4,9-10H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate?
ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate has a molecular weight of 319.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 145363237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).