1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide

C13H13N3O4S2 — CID 168719500

IUPAC1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nc(-c3ccc(O)cc3)cs2)C1
InChIInChI=1S/C13H13N3O4S2/c14-22(19,20)10-5-12(18)16(6-10)13-15-11(7-21-13)8-1-3-9(17)4-2-8/h1-4,7,10,17H,5-6H2,(H2,14,19,20)
InChIKeyYJXVZTCABGJRRR-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.91
Rot. Bonds3

About 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide

1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719500) has the molecular formula C13H13N3O4S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719500
Molecular FormulaC13H13N3O4S2
Molecular Weight339.40 g/mol
Exact Mass339.03
IUPAC Name1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nc(-c3ccc(O)cc3)cs2)C1
InChIInChI=1S/C13H13N3O4S2/c14-22(19,20)10-5-12(18)16(6-10)13-15-11(7-21-13)8-1-3-9(17)4-2-8/h1-4,7,10,17H,5-6H2,(H2,14,19,20)
InChIKeyYJXVZTCABGJRRR-UHFFFAOYSA-N
XLogP0.91
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168719500) is 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2nc(-c3ccc(O)cc3)cs2)C1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is YJXVZTCABGJRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S2/c14-22(19,20)10-5-12(18)16(6-10)13-15-11(7-21-13)8-1-3-9(17)4-2-8/h1-4,7,10,17H,5-6H2,(H2,14,19,20).
What are the key properties of 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 339.40 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).