1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C10H13FN2O3S2 — CID 168713179

IUPAC1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1csc(C(C)N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H13FN2O3S2/c1-6-5-17-10(12-6)7(2)13-4-8(3-9(13)14)18(11,15)16/h5,7-8H,3-4H2,1-2H3
InChIKeyUULZIHFRLSAMFD-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.41
Rot. Bonds3

About 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713179) has the molecular formula C10H13FN2O3S2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713179
Molecular FormulaC10H13FN2O3S2
Molecular Weight292.36 g/mol
Exact Mass292.04
IUPAC Name1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCc1csc(C(C)N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H13FN2O3S2/c1-6-5-17-10(12-6)7(2)13-4-8(3-9(13)14)18(11,15)16/h5,7-8H,3-4H2,1-2H3
InChIKeyUULZIHFRLSAMFD-UHFFFAOYSA-N
XLogP1.41
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713179) is 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is Cc1csc(C(C)N2CC(S(=O)(=O)F)CC2=O)n1.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is UULZIHFRLSAMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S2/c1-6-5-17-10(12-6)7(2)13-4-8(3-9(13)14)18(11,15)16/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 292.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).