2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

C14H18F3N3S — CID 105174149

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1cn2ccsc2n1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H18F3N3S/c15-14(16,17)11-4-2-1-3-10(11)12(18)7-9-8-20-5-6-21-13(20)19-9/h5-6,8,10-12H,1-4,7,18H2
InChIKeyKDAHQJLQPDWXBH-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.63
Rot. Bonds3

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105174149) has the molecular formula C14H18F3N3S and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105174149
Molecular FormulaC14H18F3N3S
Molecular Weight317.38 g/mol
Exact Mass317.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNC(Cc1cn2ccsc2n1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H18F3N3S/c15-14(16,17)11-4-2-1-3-10(11)12(18)7-9-8-20-5-6-21-13(20)19-9/h5-6,8,10-12H,1-4,7,18H2
InChIKeyKDAHQJLQPDWXBH-UHFFFAOYSA-N
XLogP3.63
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (CID 105174149) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is NC(Cc1cn2ccsc2n1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is KDAHQJLQPDWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3S/c15-14(16,17)11-4-2-1-3-10(11)12(18)7-9-8-20-5-6-21-13(20)19-9/h5-6,8,10-12H,1-4,7,18H2.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 317.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105174149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).