2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine

C9H12FN3S — CID 112565248

IUPAC2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1cn2ccsc2n1
InChIInChI=1S/C9H12FN3S/c1-9(10,6-11)4-7-5-13-2-3-14-8(13)12-7/h2-3,5H,4,6,11H2,1H3
InChIKeyKEKLDUSKMLFKNX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.63
Rot. Bonds3

About 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine

2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine (PubChem CID 112565248) has the molecular formula C9H12FN3S and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine
PubChem CID112565248
Molecular FormulaC9H12FN3S
Molecular Weight213.28 g/mol
Exact Mass213.07
IUPAC Name2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1cn2ccsc2n1
InChIInChI=1S/C9H12FN3S/c1-9(10,6-11)4-7-5-13-2-3-14-8(13)12-7/h2-3,5H,4,6,11H2,1H3
InChIKeyKEKLDUSKMLFKNX-UHFFFAOYSA-N
XLogP1.63
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine?
The IUPAC name of 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine (CID 112565248) is 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine.
What is the SMILES notation for 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine?
The canonical SMILES for 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine is CC(F)(CN)Cc1cn2ccsc2n1.
What is the InChIKey of 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine?
The InChIKey is KEKLDUSKMLFKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3S/c1-9(10,6-11)4-7-5-13-2-3-14-8(13)12-7/h2-3,5H,4,6,11H2,1H3.
What are the key properties of 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine?
2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylpropan-1-amine is sourced from PubChem (CID 112565248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).