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

C14H18F3NOS — CID 106784129

IUPAC5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one
SMILESCC1CCC(C(C)(C)c2cnc(C(F)(F)F)s2)C(=O)C1
InChIInChI=1S/C14H18F3NOS/c1-8-4-5-9(10(19)6-8)13(2,3)11-7-18-12(20-11)14(15,16)17/h7-9H,4-6H2,1-3H3
InChIKeyJQUJAACNXAQYNA-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.44
Rot. Bonds2

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

5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one (PubChem CID 106784129) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one
PubChem CID106784129
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one
SMILESCC1CCC(C(C)(C)c2cnc(C(F)(F)F)s2)C(=O)C1
InChIInChI=1S/C14H18F3NOS/c1-8-4-5-9(10(19)6-8)13(2,3)11-7-18-12(20-11)14(15,16)17/h7-9H,4-6H2,1-3H3
InChIKeyJQUJAACNXAQYNA-UHFFFAOYSA-N
XLogP4.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-one?
The IUPAC name of 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one (CID 106784129) is 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one is CC1CCC(C(C)(C)c2cnc(C(F)(F)F)s2)C(=O)C1.
What is the InChIKey of 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one?
The InChIKey is JQUJAACNXAQYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-8-4-5-9(10(19)6-8)13(2,3)11-7-18-12(20-11)14(15,16)17/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one?
5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-one has a molecular weight of 305.37 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 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-one is sourced from PubChem (CID 106784129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).