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

C11H11F6N3S — CID 103312210

IUPAC4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-(trifluoromethyl)butan-2-amine
SMILESCNC(Cc1cn2ccsc2n1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6N3S/c1-18-7(8(10(12,13)14)11(15,16)17)4-6-5-20-2-3-21-9(20)19-6/h2-3,5,7-8,18H,4H2,1H3
InChIKeyCMCPMPZTKMXVER-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.27
Rot. Bonds4

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

4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312210) has the molecular formula C11H11F6N3S and a molecular weight of 331.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-(trifluoromethyl)butan-2-amine
PubChem CID103312210
Molecular FormulaC11H11F6N3S
Molecular Weight331.29 g/mol
Exact Mass331.06
IUPAC Name4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-(trifluoromethyl)butan-2-amine
SMILESCNC(Cc1cn2ccsc2n1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F6N3S/c1-18-7(8(10(12,13)14)11(15,16)17)4-6-5-20-2-3-21-9(20)19-6/h2-3,5,7-8,18H,4H2,1H3
InChIKeyCMCPMPZTKMXVER-UHFFFAOYSA-N
XLogP3.27
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.27
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-N-methyl-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-(trifluoromethyl)butan-2-amine (CID 103312210) is 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-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-N-methyl-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-(trifluoromethyl)butan-2-amine is CNC(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-N-methyl-3-(trifluoromethyl)butan-2-amine?
The InChIKey is CMCPMPZTKMXVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N3S/c1-18-7(8(10(12,13)14)11(15,16)17)4-6-5-20-2-3-21-9(20)19-6/h2-3,5,7-8,18H,4H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-(trifluoromethyl)butan-2-amine?
4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-(trifluoromethyl)butan-2-amine has a molecular weight of 331.29 g/mol, XLogP of 3.27, 4 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-N-methyl-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).