2-methyl-2-(1,3-thiazol-5-yl)morpholine

C8H12N2OS — CID 112545595

IUPAC2-methyl-2-(1,3-thiazol-5-yl)morpholine
SMILESCC1(c2cncs2)CNCCO1
InChIInChI=1S/C8H12N2OS/c1-8(5-9-2-3-11-8)7-4-10-6-12-7/h4,6,9H,2-3,5H2,1H3
InChIKeyRDFOZELGKDRYJK-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.98
Rot. Bonds1

About 2-methyl-2-(1,3-thiazol-5-yl)morpholine

2-methyl-2-(1,3-thiazol-5-yl)morpholine (PubChem CID 112545595) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-2-(1,3-thiazol-5-yl)morpholine.

Molecular Properties

Compound Name2-methyl-2-(1,3-thiazol-5-yl)morpholine
PubChem CID112545595
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methyl-2-(1,3-thiazol-5-yl)morpholine
SMILESCC1(c2cncs2)CNCCO1
InChIInChI=1S/C8H12N2OS/c1-8(5-9-2-3-11-8)7-4-10-6-12-7/h4,6,9H,2-3,5H2,1H3
InChIKeyRDFOZELGKDRYJK-UHFFFAOYSA-N
XLogP0.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3-thiazol-5-yl)morpholine?
The IUPAC name of 2-methyl-2-(1,3-thiazol-5-yl)morpholine (CID 112545595) is 2-methyl-2-(1,3-thiazol-5-yl)morpholine.
What is the SMILES notation for 2-methyl-2-(1,3-thiazol-5-yl)morpholine?
The canonical SMILES for 2-methyl-2-(1,3-thiazol-5-yl)morpholine is CC1(c2cncs2)CNCCO1.
What is the InChIKey of 2-methyl-2-(1,3-thiazol-5-yl)morpholine?
The InChIKey is RDFOZELGKDRYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-8(5-9-2-3-11-8)7-4-10-6-12-7/h4,6,9H,2-3,5H2,1H3.
What are the key properties of 2-methyl-2-(1,3-thiazol-5-yl)morpholine?
2-methyl-2-(1,3-thiazol-5-yl)morpholine has a molecular weight of 184.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3-thiazol-5-yl)morpholine is sourced from PubChem (CID 112545595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).