3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one

C7H7FN2OS — CID 175506869

IUPAC3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1C(F)CCN1c1nccs1
InChIInChI=1S/C7H7FN2OS/c8-5-1-3-10(6(5)11)7-9-2-4-12-7/h2,4-5H,1,3H2
InChIKeyRZKJTCAYWCHWIB-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.22
Rot. Bonds1

About 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one

3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 175506869) has the molecular formula C7H7FN2OS and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID175506869
Molecular FormulaC7H7FN2OS
Molecular Weight186.21 g/mol
Exact Mass186.03
IUPAC Name3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESO=C1C(F)CCN1c1nccs1
InChIInChI=1S/C7H7FN2OS/c8-5-1-3-10(6(5)11)7-9-2-4-12-7/h2,4-5H,1,3H2
InChIKeyRZKJTCAYWCHWIB-UHFFFAOYSA-N
XLogP1.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiazol-2-yl)pyrrolidin-2-one
CID 574609
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-thiazol-2-yl-thiourea
CID 3003037
Propanamide, 3-(1-pyrrolidinyl)-N-(2-thiazolyl)-
CID 558586
1-(1,3-Thiazol-2-yl)pyrrolidine-2,5-dione
CID 934529
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3298328
3-Methylidene-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 178302266
3-Ethyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 5667589
1-(Thiazol-2-yl)azetidin-2-one
CID 559075
Thiazolyl-thiazolidine-2,4-dione
CID 129820905
CID 1375769
CID 1375769
(3r)-3-Fluoro-n-1,3-thiazol-2-ylpyrrolidine-1-carboxamide
CID 87638157
1-(4-Fluoro-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 175506870

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one (CID 175506869) is 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is O=C1C(F)CCN1c1nccs1.
What is the InChIKey of 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is RZKJTCAYWCHWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2OS/c8-5-1-3-10(6(5)11)7-9-2-4-12-7/h2,4-5H,1,3H2.
What are the key properties of 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one?
3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 175506869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).