3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine

C12H18FN3S — CID 107443574

IUPAC3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN)C(F)Cc1cn2ccsc2n1
InChIInChI=1S/C12H18FN3S/c1-8(2)10(6-14)11(13)5-9-7-16-3-4-17-12(16)15-9/h3-4,7-8,10-11H,5-6,14H2,1-2H3
InChIKeyUYKMLATZIBBIFI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.51
Rot. Bonds5

About 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine

3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine (PubChem CID 107443574) has the molecular formula C12H18FN3S and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine
PubChem CID107443574
Molecular FormulaC12H18FN3S
Molecular Weight255.36 g/mol
Exact Mass255.12
IUPAC Name3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN)C(F)Cc1cn2ccsc2n1
InChIInChI=1S/C12H18FN3S/c1-8(2)10(6-14)11(13)5-9-7-16-3-4-17-12(16)15-9/h3-4,7-8,10-11H,5-6,14H2,1-2H3
InChIKeyUYKMLATZIBBIFI-UHFFFAOYSA-N
XLogP2.51
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine (CID 107443574) is 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine is CC(C)C(CN)C(F)Cc1cn2ccsc2n1.
What is the InChIKey of 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine?
The InChIKey is UYKMLATZIBBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3S/c1-8(2)10(6-14)11(13)5-9-7-16-3-4-17-12(16)15-9/h3-4,7-8,10-11H,5-6,14H2,1-2H3.
What are the key properties of 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine?
3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107443574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).