ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate

C12H16N2O5S — CID 116698306

IUPACethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N2CCOCC2CO)cs1
InChIInChI=1S/C12H16N2O5S/c1-2-19-12(17)10-13-9(7-20-10)11(16)14-3-4-18-6-8(14)5-15/h7-8,15H,2-6H2,1H3
InChIKeyRWFVAIKTZSPJHA-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.15
Rot. Bonds4

About ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate

ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate (PubChem CID 116698306) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate
PubChem CID116698306
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Nameethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N2CCOCC2CO)cs1
InChIInChI=1S/C12H16N2O5S/c1-2-19-12(17)10-13-9(7-20-10)11(16)14-3-4-18-6-8(14)5-15/h7-8,15H,2-6H2,1H3
InChIKeyRWFVAIKTZSPJHA-UHFFFAOYSA-N
XLogP0.15
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate with MolForge

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(2-morpholin-4-ylmethylthiazol-4-yl)-methanone
CID 11530172
(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
[4-(2-Hydroxybutyl)piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 53624902
Methyl 4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-1-piperazinecarboxylate
CID 72937370
N,N-diethyl-2-(2-hydroxyethoxymethyl)-1,3-thiazole-4-carboxamide
CID 46944152
2-(2-hydroxyethoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 49792699
Ethyl 1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperidine-2-carboxylate
CID 50970699
[2-(Aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone
CID 119751429
Ethyl 4-(4-fluoropiperidine-1-carbonyl)thiazole-2-carboxylate
CID 121303323
Ethyl 4-(4,4-difluoropiperidine-1-carbonyl)thiazole-2-carboxylate
CID 121304037
Ethyl 4-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107482272
Ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107482294

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate (CID 116698306) is ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)N2CCOCC2CO)cs1.
What is the InChIKey of ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate?
The InChIKey is RWFVAIKTZSPJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-2-19-12(17)10-13-9(7-20-10)11(16)14-3-4-18-6-8(14)5-15/h7-8,15H,2-6H2,1H3.
What are the key properties of ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(hydroxymethyl)morpholine-4-carbonyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116698306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).