1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone

C19H24N2O4S2 — CID 78852647

IUPAC1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone
SMILESCC(C)c1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCOCC3)cs2)cc1
InChIInChI=1S/C19H24N2O4S2/c1-14(2)15-3-5-16(6-4-15)19-20-17(11-26-19)12-27(23,24)13-18(22)21-7-9-25-10-8-21/h3-6,11,14H,7-10,12-13H2,1-2H3
InChIKeyDFCJDXPZOCGLCC-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.71
Rot. Bonds6

About 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone

1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone (PubChem CID 78852647) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone
PubChem CID78852647
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone
SMILESCC(C)c1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCOCC3)cs2)cc1
InChIInChI=1S/C19H24N2O4S2/c1-14(2)15-3-5-16(6-4-15)19-20-17(11-26-19)12-27(23,24)13-18(22)21-7-9-25-10-8-21/h3-6,11,14H,7-10,12-13H2,1-2H3
InChIKeyDFCJDXPZOCGLCC-UHFFFAOYSA-N
XLogP2.71
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone (CID 78852647) is 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone is CC(C)c1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCOCC3)cs2)cc1.
What is the InChIKey of 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone?
The InChIKey is DFCJDXPZOCGLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-14(2)15-3-5-16(6-4-15)19-20-17(11-26-19)12-27(23,24)13-18(22)21-7-9-25-10-8-21/h3-6,11,14H,7-10,12-13H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone?
1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone has a molecular weight of 408.55 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]ethanone is sourced from PubChem (CID 78852647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).