3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole

C7H9FN2S — CID 130900206

IUPAC3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole
SMILESFC1(c2ccsn2)CCNC1
InChIInChI=1S/C7H9FN2S/c8-7(2-3-9-5-7)6-1-4-11-10-6/h1,4,9H,2-3,5H2
InChIKeyGIBZJJLYELMFQC-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.30
Rot. Bonds1

About 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole

3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole (PubChem CID 130900206) has the molecular formula C7H9FN2S and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole
PubChem CID130900206
Molecular FormulaC7H9FN2S
Molecular Weight172.23 g/mol
Exact Mass172.05
IUPAC Name3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole
SMILESFC1(c2ccsn2)CCNC1
InChIInChI=1S/C7H9FN2S/c8-7(2-3-9-5-7)6-1-4-11-10-6/h1,4,9H,2-3,5H2
InChIKeyGIBZJJLYELMFQC-UHFFFAOYSA-N
XLogP1.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole?
The IUPAC name of 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole (CID 130900206) is 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole.
What is the SMILES notation for 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole?
The canonical SMILES for 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole is FC1(c2ccsn2)CCNC1.
What is the InChIKey of 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole?
The InChIKey is GIBZJJLYELMFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2S/c8-7(2-3-9-5-7)6-1-4-11-10-6/h1,4,9H,2-3,5H2.
What are the key properties of 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole?
3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole has a molecular weight of 172.23 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropyrrolidin-3-yl)-1,2-thiazole is sourced from PubChem (CID 130900206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).