1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C11H15F3N2S — CID 64754910

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1csc(C2(N)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N2S/c1-7-6-17-9(16-7)10(15)4-2-8(3-5-10)11(12,13)14/h6,8H,2-5,15H2,1H3
InChIKeyDXQZRFBHTURURL-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.36
Rot. Bonds1

About 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754910) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754910
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1csc(C2(N)CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N2S/c1-7-6-17-9(16-7)10(15)4-2-8(3-5-10)11(12,13)14/h6,8H,2-5,15H2,1H3
InChIKeyDXQZRFBHTURURL-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754910) is 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is Cc1csc(C2(N)CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DXQZRFBHTURURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-7-6-17-9(16-7)10(15)4-2-8(3-5-10)11(12,13)14/h6,8H,2-5,15H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).