2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine

C16H20N2OS — CID 115611797

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C16H20N2OS/c1-12(2)18-8-9-19-15(10-18)16-17-14(11-20-16)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyWAETXMGSOLWALD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.59
Rot. Bonds3

About 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine

2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine (PubChem CID 115611797) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine
PubChem CID115611797
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C16H20N2OS/c1-12(2)18-8-9-19-15(10-18)16-17-14(11-20-16)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3
InChIKeyWAETXMGSOLWALD-UHFFFAOYSA-N
XLogP3.59
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine (CID 115611797) is 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(c2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine?
The InChIKey is WAETXMGSOLWALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(2)18-8-9-19-15(10-18)16-17-14(11-20-16)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3.
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine?
2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine has a molecular weight of 288.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 115611797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).