ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate

C11H16N2O3S — CID 67334313

IUPACethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CN2CCOCC2)cs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-11(14)10-12-9(8-17-10)7-13-3-5-15-6-4-13/h8H,2-7H2,1H3
InChIKeyQGGPFBPSFYSCDM-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.15
Rot. Bonds4

About ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate

ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate (PubChem CID 67334313) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate
PubChem CID67334313
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CN2CCOCC2)cs1
InChIInChI=1S/C11H16N2O3S/c1-2-16-11(14)10-12-9(8-17-10)7-13-3-5-15-6-4-13/h8H,2-7H2,1H3
InChIKeyQGGPFBPSFYSCDM-UHFFFAOYSA-N
XLogP1.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate (CID 67334313) is ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(CN2CCOCC2)cs1.
What is the InChIKey of ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate?
The InChIKey is QGGPFBPSFYSCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-16-11(14)10-12-9(8-17-10)7-13-3-5-15-6-4-13/h8H,2-7H2,1H3.
What are the key properties of ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 67334313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).