(2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate

C16H19NO3S — CID 60541301

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate
SMILESCCc1nc(COC(=O)CCOCc2ccccc2)cs1
InChIInChI=1S/C16H19NO3S/c1-2-15-17-14(12-21-15)11-20-16(18)8-9-19-10-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyMYMZNBMOHDIZPL-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.36
Rot. Bonds8

About (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate

(2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate (PubChem CID 60541301) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate
PubChem CID60541301
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate
SMILESCCc1nc(COC(=O)CCOCc2ccccc2)cs1
InChIInChI=1S/C16H19NO3S/c1-2-15-17-14(12-21-15)11-20-16(18)8-9-19-10-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyMYMZNBMOHDIZPL-UHFFFAOYSA-N
XLogP3.36
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-ethyl-1,3-thiazol-4-yl)methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 55541281
(2-ethyl-1,3-thiazol-4-yl)methyl hexanoate
CID 78842387
(2-ethyl-1,3-thiazol-4-yl)methyl 3,3-dimethylbutanoate
CID 78842414
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-phenylpropanoate
CID 25161612
(2-ethyl-1,3-thiazol-4-yl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 35622961
(2-ethyl-1,3-thiazol-4-yl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
CID 55531610
(2-ethyl-1,3-thiazol-4-yl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 35601337
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 3-phenylpropanoate
CID 7958041
(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 18165685
1-phenylmethoxyhexane-3,4-dione
CID 561127
(2-ethyl-1,3-thiazol-4-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 18165648
ethyl 2-(phenylmethoxymethyl)-1,3-thiazole-4-carboxylate
CID 137320111

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate (CID 60541301) is (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate is CCc1nc(COC(=O)CCOCc2ccccc2)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate?
The InChIKey is MYMZNBMOHDIZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-15-17-14(12-21-15)11-20-16(18)8-9-19-10-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate?
(2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate has a molecular weight of 305.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate is sourced from PubChem (CID 60541301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).