4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

C20H20N2O3S2 — CID 17470518

IUPAC4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2csc(Cc3ccccc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C20H20N2O3S2/c23-27(24,22-10-12-25-13-11-22)18-8-6-17(7-9-18)19-15-26-20(21-19)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyKZWYQPQUZJPRAW-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.42
Rot. Bonds5

About 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine

4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (PubChem CID 17470518) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
PubChem CID17470518
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2csc(Cc3ccccc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C20H20N2O3S2/c23-27(24,22-10-12-25-13-11-22)18-8-6-17(7-9-18)19-15-26-20(21-19)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyKZWYQPQUZJPRAW-UHFFFAOYSA-N
XLogP3.42
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Methylbutyl)-4-(2-Methyl-1,3-Thiazol-4-Yl)benzenesulfonamide
CID 74766015
1-[3-(2-Methyl-thiazol-4-yl)-benzenesulfonyl]-piperidine
CID 943173
1-{[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}azepane
CID 888109
4-[4-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 829818
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 829863
N,N-diethyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 887333
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2a
CID 57340178
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3a
CID 57340181
4-{4-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
CID 9356437
N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
CID 118362921
4-[3-(2-Methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
2,6-Dimethyl-4-{[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonyl}morpholine
CID 664536

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (CID 17470518) is 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2csc(Cc3ccccc3)n2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The InChIKey is KZWYQPQUZJPRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c23-27(24,22-10-12-25-13-11-22)18-8-6-17(7-9-18)19-15-26-20(21-19)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2.
What are the key properties of 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine has a molecular weight of 400.53 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 17470518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).