2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine

C13H16N2OS2 — CID 68606232

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine
SMILESCc1csc(C2CN(Cc3cccs3)CCO2)n1
InChIInChI=1S/C13H16N2OS2/c1-10-9-18-13(14-10)12-8-15(4-5-16-12)7-11-3-2-6-17-11/h2-3,6,9,12H,4-5,7-8H2,1H3
InChIKeyAZBVCRJFNALYKD-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine

2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine (PubChem CID 68606232) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine
PubChem CID68606232
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine
SMILESCc1csc(C2CN(Cc3cccs3)CCO2)n1
InChIInChI=1S/C13H16N2OS2/c1-10-9-18-13(14-10)12-8-15(4-5-16-12)7-11-3-2-6-17-11/h2-3,6,9,12H,4-5,7-8H2,1H3
InChIKeyAZBVCRJFNALYKD-UHFFFAOYSA-N
XLogP3.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine (CID 68606232) is 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine is Cc1csc(C2CN(Cc3cccs3)CCO2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine?
The InChIKey is AZBVCRJFNALYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-10-9-18-13(14-10)12-8-15(4-5-16-12)7-11-3-2-6-17-11/h2-3,6,9,12H,4-5,7-8H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine?
2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine has a molecular weight of 280.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine is sourced from PubChem (CID 68606232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).