4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine

C13H19N5OS — CID 154756493

IUPAC4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(CN2CCOCC2c2ncnn2C)cs1
InChIInChI=1S/C13H19N5OS/c1-3-12-16-10(8-20-12)6-18-4-5-19-7-11(18)13-14-9-15-17(13)2/h8-9,11H,3-7H2,1-2H3
InChIKeyOVYKUAZXFSOUQP-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.41
Rot. Bonds4

About 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine

4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 154756493) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID154756493
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(CN2CCOCC2c2ncnn2C)cs1
InChIInChI=1S/C13H19N5OS/c1-3-12-16-10(8-20-12)6-18-4-5-19-7-11(18)13-14-9-15-17(13)2/h8-9,11H,3-7H2,1-2H3
InChIKeyOVYKUAZXFSOUQP-UHFFFAOYSA-N
XLogP1.41
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine (CID 154756493) is 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine is CCc1nc(CN2CCOCC2c2ncnn2C)cs1.
What is the InChIKey of 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is OVYKUAZXFSOUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-12-16-10(8-20-12)6-18-4-5-19-7-11(18)13-14-9-15-17(13)2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 293.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 154756493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).