1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H16F3N3S — CID 115333027

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2cn3ccsc3n2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H16F3N3S/c14-13(15,16)9-1-3-12(17,4-2-9)7-10-8-19-5-6-20-11(19)18-10/h5-6,8-9H,1-4,7,17H2
InChIKeyHHLXJXQBGVPUTH-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.39
Rot. Bonds2

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 115333027) has the molecular formula C13H16F3N3S and a molecular weight of 303.35 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID115333027
Molecular FormulaC13H16F3N3S
Molecular Weight303.35 g/mol
Exact Mass303.10
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2cn3ccsc3n2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H16F3N3S/c14-13(15,16)9-1-3-12(17,4-2-9)7-10-8-19-5-6-20-11(19)18-10/h5-6,8-9H,1-4,7,17H2
InChIKeyHHLXJXQBGVPUTH-UHFFFAOYSA-N
XLogP3.39
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-propylcycloheptan-1-amine
CID 115333031
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylcyclohexan-1-amine
CID 113289084
4-fluoro-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexan-1-amine
CID 112562533
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961108
4-tert-butyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332906
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115333037
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
6-[(3-bromo-1-methylcyclopentyl)methyl]imidazo[2,1-b][1,3]thiazole
CID 116540779
4-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexane-1-carboxylic acid
CID 115335060
[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxan-4-yl]methanamine
CID 113289332
6-[(2-tert-butylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289246
[3-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methanamine
CID 115335047

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 115333027) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is NC1(Cc2cn3ccsc3n2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HHLXJXQBGVPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3S/c14-13(15,16)9-1-3-12(17,4-2-9)7-10-8-19-5-6-20-11(19)18-10/h5-6,8-9H,1-4,7,17H2.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 303.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 115333027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).