ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

C12H16N2O4S — CID 134461219

IUPACethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)=O)sc1N1CCOCC1
InChIInChI=1S/C12H16N2O4S/c1-3-18-12(16)9-11(14-4-6-17-7-5-14)19-10(13-9)8(2)15/h3-7H2,1-2H3
InChIKeyCDXAWPATJGWYME-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.36
Rot. Bonds4

About ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 134461219) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID134461219
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Nameethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(C)=O)sc1N1CCOCC1
InChIInChI=1S/C12H16N2O4S/c1-3-18-12(16)9-11(14-4-6-17-7-5-14)19-10(13-9)8(2)15/h3-7H2,1-2H3
InChIKeyCDXAWPATJGWYME-UHFFFAOYSA-N
XLogP1.36
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 134461219) is ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(C)=O)sc1N1CCOCC1.
What is the InChIKey of ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is CDXAWPATJGWYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-18-12(16)9-11(14-4-6-17-7-5-14)19-10(13-9)8(2)15/h3-7H2,1-2H3.
What are the key properties of ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 134461219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).