2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide

C11H17N3OS2 — CID 126757331

IUPAC2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide
SMILESO=S1CCCN1C1CCN(Cc2nccs2)C1
InChIInChI=1S/C11H17N3OS2/c15-17-7-1-4-14(17)10-2-5-13(8-10)9-11-12-3-6-16-11/h3,6,10H,1-2,4-5,7-9H2
InChIKeyGLFLCYFIWUBHBV-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.09
Rot. Bonds3

About 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide

2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide (PubChem CID 126757331) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide
PubChem CID126757331
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide
SMILESO=S1CCCN1C1CCN(Cc2nccs2)C1
InChIInChI=1S/C11H17N3OS2/c15-17-7-1-4-14(17)10-2-5-13(8-10)9-11-12-3-6-16-11/h3,6,10H,1-2,4-5,7-9H2
InChIKeyGLFLCYFIWUBHBV-UHFFFAOYSA-N
XLogP1.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide?
The IUPAC name of 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide (CID 126757331) is 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide?
The canonical SMILES for 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide is O=S1CCCN1C1CCN(Cc2nccs2)C1.
What is the InChIKey of 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide?
The InChIKey is GLFLCYFIWUBHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c15-17-7-1-4-14(17)10-2-5-13(8-10)9-11-12-3-6-16-11/h3,6,10H,1-2,4-5,7-9H2.
What are the key properties of 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide?
2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide has a molecular weight of 271.41 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-1,2-thiazolidine 1-oxide is sourced from PubChem (CID 126757331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).