ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate

C14H20N2O4S — CID 107376454

IUPACethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CN(CC)CCO2)sc1C(C)=O
InChIInChI=1S/C14H20N2O4S/c1-4-16-6-7-20-10(8-16)13-15-11(14(18)19-5-2)12(21-13)9(3)17/h10H,4-8H2,1-3H3
InChIKeyRXIWHNOPHPHTDN-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.92
Rot. Bonds5

About ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate

ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 107376454) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID107376454
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Nameethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CN(CC)CCO2)sc1C(C)=O
InChIInChI=1S/C14H20N2O4S/c1-4-16-6-7-20-10(8-16)13-15-11(14(18)19-5-2)12(21-13)9(3)17/h10H,4-8H2,1-3H3
InChIKeyRXIWHNOPHPHTDN-UHFFFAOYSA-N
XLogP1.92
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359699
4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360273
ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate
CID 107376074
5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106696292
4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360099
N-[[2-(4-ethylmorpholin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366231
[4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361926
ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate
CID 116526300
N-[[2-(4-ethylmorpholin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365079
N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362634
ethyl 5-acetyl-2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 107377816
ethyl 5-acetyl-2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 107378405

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate (CID 107376454) is ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CN(CC)CCO2)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is RXIWHNOPHPHTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-16-6-7-20-10(8-16)13-15-11(14(18)19-5-2)12(21-13)9(3)17/h10H,4-8H2,1-3H3.
What are the key properties of ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107376454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).