5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole

C8H11FN2S — CID 112645699

IUPAC5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole
SMILESFC1(Cc2cncs2)CCNC1
InChIInChI=1S/C8H11FN2S/c9-8(1-2-10-5-8)3-7-4-11-6-12-7/h4,6,10H,1-3,5H2
InChIKeySTYGVMKARSMPJL-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.39
Rot. Bonds2

About 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole

5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole (PubChem CID 112645699) has the molecular formula C8H11FN2S and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole
PubChem CID112645699
Molecular FormulaC8H11FN2S
Molecular Weight186.25 g/mol
Exact Mass186.06
IUPAC Name5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole
SMILESFC1(Cc2cncs2)CCNC1
InChIInChI=1S/C8H11FN2S/c9-8(1-2-10-5-8)3-7-4-11-6-12-7/h4,6,10H,1-3,5H2
InChIKeySTYGVMKARSMPJL-UHFFFAOYSA-N
XLogP1.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole (CID 112645699) is 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole is FC1(Cc2cncs2)CCNC1.
What is the InChIKey of 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole?
The InChIKey is STYGVMKARSMPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2S/c9-8(1-2-10-5-8)3-7-4-11-6-12-7/h4,6,10H,1-3,5H2.
What are the key properties of 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole?
5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole has a molecular weight of 186.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112645699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).