4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine

C13H14FN3O2S2 — CID 16768923

IUPAC4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CCCN2S(=O)(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FN3O2S2/c14-9-3-5-10(6-4-9)21(18,19)17-7-1-2-12(17)11-8-20-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16)
InChIKeyJOBKEGOHKUQWDZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.39
Rot. Bonds3

About 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine

4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 16768923) has the molecular formula C13H14FN3O2S2 and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
PubChem CID16768923
Molecular FormulaC13H14FN3O2S2
Molecular Weight327.41 g/mol
Exact Mass327.05
IUPAC Name4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc(C2CCCN2S(=O)(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FN3O2S2/c14-9-3-5-10(6-4-9)21(18,19)17-7-1-2-12(17)11-8-20-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16)
InChIKeyJOBKEGOHKUQWDZ-UHFFFAOYSA-N
XLogP2.39
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-Chlorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 2998200
N-[5-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]amino]pentyl]-4-fluorobenzenesulfonamide
CID 22254120
4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 169049121
4-[1-(4-Fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 169775085
4-Fluoro-N-(4-methylthiazol-2-yl)benzenesulfonamide
CID 3395000
4-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 4199706
3,4-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 8603532
2-fluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 8603534
2,3,4-trifluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 8603545
2,6-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 8603548
2,5-difluoro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 9237178
3,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 25037649

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine (CID 16768923) is 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine is Nc1nc(C2CCCN2S(=O)(=O)c2ccc(F)cc2)cs1.
What is the InChIKey of 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is JOBKEGOHKUQWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S2/c14-9-3-5-10(6-4-9)21(18,19)17-7-1-2-12(17)11-8-20-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16).
What are the key properties of 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine?
4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 327.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16768923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).