4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine

C10H9F6N3S — CID 103312209

IUPAC4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1cn2ccsc2n1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F6N3S/c11-9(12,13)7(10(14,15)16)6(17)3-5-4-19-1-2-20-8(19)18-5/h1-2,4,6-7H,3,17H2
InChIKeyAFPVLJDGSUEYOS-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.01
Rot. Bonds3

About 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine

4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312209) has the molecular formula C10H9F6N3S and a molecular weight of 317.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine
PubChem CID103312209
Molecular FormulaC10H9F6N3S
Molecular Weight317.26 g/mol
Exact Mass317.04
IUPAC Name4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1cn2ccsc2n1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F6N3S/c11-9(12,13)7(10(14,15)16)6(17)3-5-4-19-1-2-20-8(19)18-5/h1-2,4,6-7H,3,17H2
InChIKeyAFPVLJDGSUEYOS-UHFFFAOYSA-N
XLogP3.01
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine (CID 103312209) is 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine is NC(Cc1cn2ccsc2n1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine?
The InChIKey is AFPVLJDGSUEYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N3S/c11-9(12,13)7(10(14,15)16)6(17)3-5-4-19-1-2-20-8(19)18-5/h1-2,4,6-7H,3,17H2.
What are the key properties of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine?
4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine has a molecular weight of 317.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).