2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole

C14H15FN2O3S2 — CID 121150775

IUPAC2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1F)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C14H15FN2O3S2/c15-13-4-2-1-3-11(13)10-22(18,19)17-7-5-12(9-17)20-14-16-6-8-21-14/h1-4,6,8,12H,5,7,9-10H2
InChIKeyOKMNMACQRTUJPN-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.27
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole

2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole (PubChem CID 121150775) has the molecular formula C14H15FN2O3S2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole
PubChem CID121150775
Molecular FormulaC14H15FN2O3S2
Molecular Weight342.42 g/mol
Exact Mass342.05
IUPAC Name2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1F)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C14H15FN2O3S2/c15-13-4-2-1-3-11(13)10-22(18,19)17-7-5-12(9-17)20-14-16-6-8-21-14/h1-4,6,8,12H,5,7,9-10H2
InChIKeyOKMNMACQRTUJPN-UHFFFAOYSA-N
XLogP2.27
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole (CID 121150775) is 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole is O=S(=O)(Cc1ccccc1F)N1CCC(Oc2nccs2)C1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole?
The InChIKey is OKMNMACQRTUJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S2/c15-13-4-2-1-3-11(13)10-22(18,19)17-7-5-12(9-17)20-14-16-6-8-21-14/h1-4,6,8,12H,5,7,9-10H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole?
2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole has a molecular weight of 342.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 121150775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).