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

C18H17N3O3S2 — CID 1298897

IUPAC4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C18H17N3O3S2/c22-26(23,21-8-10-24-11-9-21)16-5-3-14(4-6-16)17-13-25-18(20-17)15-2-1-7-19-12-15/h1-7,12-13H,8-11H2
InChIKeySIUNNPDZIMVPSN-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.89
Rot. Bonds4

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

4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (PubChem CID 1298897) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
PubChem CID1298897
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCOCC1
InChIInChI=1S/C18H17N3O3S2/c22-26(23,21-8-10-24-11-9-21)16-5-3-14(4-6-16)17-13-25-18(20-17)15-2-1-7-19-12-15/h1-7,12-13H,8-11H2
InChIKeySIUNNPDZIMVPSN-UHFFFAOYSA-N
XLogP2.89
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine (CID 1298897) is 4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
The InChIKey is SIUNNPDZIMVPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-26(23,21-8-10-24-11-9-21)16-5-3-14(4-6-16)17-13-25-18(20-17)15-2-1-7-19-12-15/h1-7,12-13H,8-11H2.
What are the key properties of 4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine?
4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine has a molecular weight of 387.49 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 1298897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).