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

C14H16N2OS — CID 129303181

IUPAC2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine
SMILESCC1CN(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C14H16N2OS/c1-11-9-16(7-8-17-11)14-15-13(10-18-14)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyLJRRSFLPBFWMDJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.04
Rot. Bonds2

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

2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine (PubChem CID 129303181) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine
PubChem CID129303181
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine
SMILESCC1CN(c2nc(-c3ccccc3)cs2)CCO1
InChIInChI=1S/C14H16N2OS/c1-11-9-16(7-8-17-11)14-15-13(10-18-14)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChIKeyLJRRSFLPBFWMDJ-UHFFFAOYSA-N
XLogP3.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine (CID 129303181) is 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine is CC1CN(c2nc(-c3ccccc3)cs2)CCO1.
What is the InChIKey of 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is LJRRSFLPBFWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11-9-16(7-8-17-11)14-15-13(10-18-14)12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3.
What are the key properties of 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine?
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 260.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 129303181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).