3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine

C10H12FN3S — CID 112564189

IUPAC3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine
SMILESNC1CC(F)(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C10H12FN3S/c11-10(3-7(12)4-10)5-8-6-14-1-2-15-9(14)13-8/h1-2,6-7H,3-5,12H2
InChIKeyZKKKWFGNOJTCBE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.77
Rot. Bonds2

About 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine

3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine (PubChem CID 112564189) has the molecular formula C10H12FN3S and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine
PubChem CID112564189
Molecular FormulaC10H12FN3S
Molecular Weight225.29 g/mol
Exact Mass225.07
IUPAC Name3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine
SMILESNC1CC(F)(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C10H12FN3S/c11-10(3-7(12)4-10)5-8-6-14-1-2-15-9(14)13-8/h1-2,6-7H,3-5,12H2
InChIKeyZKKKWFGNOJTCBE-UHFFFAOYSA-N
XLogP1.77
TPSA43.32 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine (CID 112564189) is 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine is NC1CC(F)(Cc2cn3ccsc3n2)C1.
What is the InChIKey of 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine?
The InChIKey is ZKKKWFGNOJTCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3S/c11-10(3-7(12)4-10)5-8-6-14-1-2-15-9(14)13-8/h1-2,6-7H,3-5,12H2.
What are the key properties of 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine?
3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 112564189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).