3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine

C13H22N2O2S — CID 102929501

IUPAC3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine
SMILESCCOC(C)(CC)c1nc(C2COCCN2)cs1
InChIInChI=1S/C13H22N2O2S/c1-4-13(3,17-5-2)12-15-11(9-18-12)10-8-16-7-6-14-10/h9-10,14H,4-8H2,1-3H3
InChIKeyYGOMTAGRLRHXNT-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.47
Rot. Bonds5

About 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine

3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine (PubChem CID 102929501) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine.

Molecular Properties

Compound Name3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine
PubChem CID102929501
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine
SMILESCCOC(C)(CC)c1nc(C2COCCN2)cs1
InChIInChI=1S/C13H22N2O2S/c1-4-13(3,17-5-2)12-15-11(9-18-12)10-8-16-7-6-14-10/h9-10,14H,4-8H2,1-3H3
InChIKeyYGOMTAGRLRHXNT-UHFFFAOYSA-N
XLogP2.47
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine?
The IUPAC name of 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine (CID 102929501) is 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine.
What is the SMILES notation for 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine?
The canonical SMILES for 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine is CCOC(C)(CC)c1nc(C2COCCN2)cs1.
What is the InChIKey of 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine?
The InChIKey is YGOMTAGRLRHXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-13(3,17-5-2)12-15-11(9-18-12)10-8-16-7-6-14-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine?
3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine has a molecular weight of 270.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]morpholine is sourced from PubChem (CID 102929501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).