4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine

C19H19N3O3S2 — CID 163403555

IUPAC4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
SMILESCc1ccc(-c2nnc(-c3ccccc3)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H19N3O3S2/c1-14-7-8-16(13-17(14)27(23,24)22-9-11-25-12-10-22)19-21-20-18(26-19)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyBWWAIOGNGKJDBR-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.20
Rot. Bonds4

About 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine

4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine (PubChem CID 163403555) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
PubChem CID163403555
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
SMILESCc1ccc(-c2nnc(-c3ccccc3)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H19N3O3S2/c1-14-7-8-16(13-17(14)27(23,24)22-9-11-25-12-10-22)19-21-20-18(26-19)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyBWWAIOGNGKJDBR-UHFFFAOYSA-N
XLogP3.20
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine (CID 163403555) is 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine is Cc1ccc(-c2nnc(-c3ccccc3)s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine?
The InChIKey is BWWAIOGNGKJDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-14-7-8-16(13-17(14)27(23,24)22-9-11-25-12-10-22)19-21-20-18(26-19)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine?
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine has a molecular weight of 401.51 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 163403555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).