1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

C8H9F2N3S — CID 103516979

IUPAC1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESNC(Cc1cn2ccsc2n1)C(F)F
InChIInChI=1S/C8H9F2N3S/c9-7(10)6(11)3-5-4-13-1-2-14-8(13)12-5/h1-2,4,6-7H,3,11H2
InChIKeyIMPXVGHKLQEXFZ-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.53
Rot. Bonds3

About 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (PubChem CID 103516979) has the molecular formula C8H9F2N3S and a molecular weight of 217.24 g/mol. Its IUPAC name is 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
PubChem CID103516979
Molecular FormulaC8H9F2N3S
Molecular Weight217.24 g/mol
Exact Mass217.05
IUPAC Name1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESNC(Cc1cn2ccsc2n1)C(F)F
InChIInChI=1S/C8H9F2N3S/c9-7(10)6(11)3-5-4-13-1-2-14-8(13)12-5/h1-2,4,6-7H,3,11H2
InChIKeyIMPXVGHKLQEXFZ-UHFFFAOYSA-N
XLogP1.53
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The IUPAC name of 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (CID 103516979) is 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is NC(Cc1cn2ccsc2n1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The InChIKey is IMPXVGHKLQEXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3S/c9-7(10)6(11)3-5-4-13-1-2-14-8(13)12-5/h1-2,4,6-7H,3,11H2.
What are the key properties of 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine has a molecular weight of 217.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is sourced from PubChem (CID 103516979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).