5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide

C13H13N3O3S2 — CID 168719509

IUPAC5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C13H13N3O3S2/c14-21(18,19)10-6-12(17)16(7-10)13-15-11(8-20-13)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,14,18,19)
InChIKeyDXVYTXOJMSEUGD-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.20
Rot. Bonds3

About 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide

5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide (PubChem CID 168719509) has the molecular formula C13H13N3O3S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide
PubChem CID168719509
Molecular FormulaC13H13N3O3S2
Molecular Weight323.40 g/mol
Exact Mass323.04
IUPAC Name5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C13H13N3O3S2/c14-21(18,19)10-6-12(17)16(7-10)13-15-11(8-20-13)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,14,18,19)
InChIKeyDXVYTXOJMSEUGD-UHFFFAOYSA-N
XLogP1.20
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719500
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716177
5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168719208
[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683272
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-chloropyrrolidin-2-one
CID 168689904
S-[[5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168668940
4-chloro-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168689921
4-(aminomethyl)-1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168661338
1-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672258
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
4-(chloromethyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168509594

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide (CID 168719509) is 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide?
The InChIKey is DXVYTXOJMSEUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S2/c14-21(18,19)10-6-12(17)16(7-10)13-15-11(8-20-13)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,14,18,19).
What are the key properties of 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide?
5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide has a molecular weight of 323.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).