5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine

C14H21F3N2S — CID 106784187

IUPAC5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine
SMILESCC1CCC(C(C)(C)c2cnc(C(F)(F)F)s2)C(N)C1
InChIInChI=1S/C14H21F3N2S/c1-8-4-5-9(10(18)6-8)13(2,3)11-7-19-12(20-11)14(15,16)17/h7-10H,4-6,18H2,1-3H3
InChIKeyKNINUUNEFGKNBE-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.20
Rot. Bonds2

About 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine

5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine (PubChem CID 106784187) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine
PubChem CID106784187
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine
SMILESCC1CCC(C(C)(C)c2cnc(C(F)(F)F)s2)C(N)C1
InChIInChI=1S/C14H21F3N2S/c1-8-4-5-9(10(18)6-8)13(2,3)11-7-19-12(20-11)14(15,16)17/h7-10H,4-6,18H2,1-3H3
InChIKeyKNINUUNEFGKNBE-UHFFFAOYSA-N
XLogP4.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(2-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 64765534
[(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786852
4-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexane-1-carboxylic acid
CID 106784494
(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783141
3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
5-methyl-2-(2-quinolin-3-ylpropan-2-yl)cyclohexan-1-amine
CID 64764439
2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765559
2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine
CID 64765898
2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 114664684
1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782345
5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine
CID 81230699

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine?
The IUPAC name of 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine (CID 106784187) is 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine is CC1CCC(C(C)(C)c2cnc(C(F)(F)F)s2)C(N)C1.
What is the InChIKey of 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine?
The InChIKey is KNINUUNEFGKNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-8-4-5-9(10(18)6-8)13(2,3)11-7-19-12(20-11)14(15,16)17/h7-10H,4-6,18H2,1-3H3.
What are the key properties of 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine?
5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine has a molecular weight of 306.40 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 106784187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).