ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate

C14H15NO2S — CID 16566879

IUPACethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)8-13-15-12(9-18-13)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyJLMACWNPGQTLRM-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.22
Rot. Bonds4

About ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate

ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate (PubChem CID 16566879) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate
PubChem CID16566879
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C14H15NO2S/c1-3-17-14(16)8-13-15-12(9-18-13)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3
InChIKeyJLMACWNPGQTLRM-UHFFFAOYSA-N
XLogP3.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetate
CID 16960560
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
CID 43120367
ethyl 2-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetate
CID 28839535
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
ethyl 2-[5-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazol-2-yl]acetate
CID 18708667
ethyl 2-(5-methyl-1,3-benzothiazol-2-yl)acetate
CID 79022075
2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole
CID 166282816
ethyl 2-[5-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]acetate
CID 18708830
diethyl 2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanedioate
CID 134066790
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 58791720

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate (CID 16566879) is ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate?
The InChIKey is JLMACWNPGQTLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-17-14(16)8-13-15-12(9-18-13)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate?
ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate has a molecular weight of 261.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetate is sourced from PubChem (CID 16566879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).