[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide

C13H14N4O3S2 — CID 168683272

IUPAC[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nc(-c3cccnc3)cs2)C1
InChIInChI=1S/C13H14N4O3S2/c14-22(19,20)8-9-4-12(18)17(6-9)13-16-11(7-21-13)10-2-1-3-15-5-10/h1-3,5,7,9H,4,6,8H2,(H2,14,19,20)
InChIKeyUQFGEVZWLUMEHS-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.85
Rot. Bonds4

About [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide

[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 168683272) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID168683272
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC Name[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2nc(-c3cccnc3)cs2)C1
InChIInChI=1S/C13H14N4O3S2/c14-22(19,20)8-9-4-12(18)17(6-9)13-16-11(7-21-13)10-2-1-3-15-5-10/h1-3,5,7,9H,4,6,8H2,(H2,14,19,20)
InChIKeyUQFGEVZWLUMEHS-UHFFFAOYSA-N
XLogP0.85
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide (CID 168683272) is [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2nc(-c3cccnc3)cs2)C1.
What is the InChIKey of [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UQFGEVZWLUMEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c14-22(19,20)8-9-4-12(18)17(6-9)13-16-11(7-21-13)10-2-1-3-15-5-10/h1-3,5,7,9H,4,6,8H2,(H2,14,19,20).
What are the key properties of [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide?
[5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 338.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168683272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).