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

C19H18N2O3S2 — CID 662742

IUPAC4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCOCC1
InChIInChI=1S/C19H18N2O3S2/c22-26(23,21-9-11-24-12-10-21)17-8-4-7-16(13-17)18-14-25-19(20-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2
InChIKeyRHZXDVOZXKXIEV-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.50
Rot. Bonds4

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

4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (PubChem CID 662742) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
PubChem CID662742
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCOCC1
InChIInChI=1S/C19H18N2O3S2/c22-26(23,21-9-11-24-12-10-21)17-8-4-7-16(13-17)18-14-25-19(20-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2
InChIKeyRHZXDVOZXKXIEV-UHFFFAOYSA-N
XLogP3.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-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
2-[4-Methyl-3-(morpholin-4-ylsulfonyl)phenyl]-1,3-benzothiazole
CID 1252182
2-[3-(4-Morpholinylsulfonyl)phenyl]-1,3-benzothiazole
CID 1526383

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (CID 662742) is 4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is O=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCOCC1.
What is the InChIKey of 4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The InChIKey is RHZXDVOZXKXIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c22-26(23,21-9-11-24-12-10-21)17-8-4-7-16(13-17)18-14-25-19(20-18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2.
What are the key properties of 4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine has a molecular weight of 386.50 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 662742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).