1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C8H9FN2O3S2 — CID 168714624

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1cnc(N2CC(S(=O)(=O)F)CC2=O)s1
InChIInChI=1S/C8H9FN2O3S2/c1-5-3-10-8(15-5)11-4-6(2-7(11)12)16(9,13)14/h3,6H,2,4H2,1H3
InChIKeyBTWUTWKGCOIBNU-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.86
Rot. Bonds2

About 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714624) has the molecular formula C8H9FN2O3S2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714624
Molecular FormulaC8H9FN2O3S2
Molecular Weight264.30 g/mol
Exact Mass264.00
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1cnc(N2CC(S(=O)(=O)F)CC2=O)s1
InChIInChI=1S/C8H9FN2O3S2/c1-5-3-10-8(15-5)11-4-6(2-7(11)12)16(9,13)14/h3,6H,2,4H2,1H3
InChIKeyBTWUTWKGCOIBNU-UHFFFAOYSA-N
XLogP0.86
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714624) is 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1cnc(N2CC(S(=O)(=O)F)CC2=O)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is BTWUTWKGCOIBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S2/c1-5-3-10-8(15-5)11-4-6(2-7(11)12)16(9,13)14/h3,6H,2,4H2,1H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 264.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).