6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole

C10H12FN3S — CID 112564441

IUPAC6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESFC1(Cc2cn3ccsc3n2)CCNC1
InChIInChI=1S/C10H12FN3S/c11-10(1-2-12-7-10)5-8-6-14-3-4-15-9(14)13-8/h3-4,6,12H,1-2,5,7H2
InChIKeyHIJPSYHOTSDZQZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds2

About 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 112564441) has the molecular formula C10H12FN3S and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID112564441
Molecular FormulaC10H12FN3S
Molecular Weight225.29 g/mol
Exact Mass225.07
IUPAC Name6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESFC1(Cc2cn3ccsc3n2)CCNC1
InChIInChI=1S/C10H12FN3S/c11-10(1-2-12-7-10)5-8-6-14-3-4-15-9(14)13-8/h3-4,6,12H,1-2,5,7H2
InChIKeyHIJPSYHOTSDZQZ-UHFFFAOYSA-N
XLogP1.64
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 112564441) is 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole is FC1(Cc2cn3ccsc3n2)CCNC1.
What is the InChIKey of 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is HIJPSYHOTSDZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3S/c11-10(1-2-12-7-10)5-8-6-14-3-4-15-9(14)13-8/h3-4,6,12H,1-2,5,7H2.
What are the key properties of 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 225.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 112564441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).