(2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine

C22H24N2OS — CID 28739903

IUPAC(2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESc1ccc(C(C[C@H]2CN(Cc3nccs3)CCO2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2OS/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)15-20-16-24(12-13-25-20)17-22-23-11-14-26-22/h1-11,14,20-21H,12-13,15-17H2/t20-/m0/s1
InChIKeyCXAOYRVDBWZKRI-FQEVSTJZSA-N
MW364.51 g/mol
LogP4.57
Rot. Bonds6

About (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine

(2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine (PubChem CID 28739903) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
PubChem CID28739903
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESc1ccc(C(C[C@H]2CN(Cc3nccs3)CCO2)c2ccccc2)cc1
InChIInChI=1S/C22H24N2OS/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)15-20-16-24(12-13-25-20)17-22-23-11-14-26-22/h1-11,14,20-21H,12-13,15-17H2/t20-/m0/s1
InChIKeyCXAOYRVDBWZKRI-FQEVSTJZSA-N
XLogP4.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine (CID 28739903) is (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine is c1ccc(C(C[C@H]2CN(Cc3nccs3)CCO2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The InChIKey is CXAOYRVDBWZKRI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-3-7-18(8-4-1)21(19-9-5-2-6-10-19)15-20-16-24(12-13-25-20)17-22-23-11-14-26-22/h1-11,14,20-21H,12-13,15-17H2/t20-/m0/s1.
What are the key properties of (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
(2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine has a molecular weight of 364.51 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-diphenylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine is sourced from PubChem (CID 28739903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).