2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one

C13H19F3N2OS — CID 67093349

IUPAC2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)C(C)(CC(F)(F)F)S1)C1CCCCC1
InChIInChI=1S/C13H19F3N2OS/c1-12(8-13(14,15)16)10(19)17-11(20-12)18(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyGAWZYLVIIUKMQP-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.59
Rot. Bonds2

About 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one

2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one (PubChem CID 67093349) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one
PubChem CID67093349
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)C(C)(CC(F)(F)F)S1)C1CCCCC1
InChIInChI=1S/C13H19F3N2OS/c1-12(8-13(14,15)16)10(19)17-11(20-12)18(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyGAWZYLVIIUKMQP-UHFFFAOYSA-N
XLogP3.59
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one (CID 67093349) is 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one is CN(C1=NC(=O)C(C)(CC(F)(F)F)S1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one?
The InChIKey is GAWZYLVIIUKMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-12(8-13(14,15)16)10(19)17-11(20-12)18(2)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one?
2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one has a molecular weight of 308.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-5-methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazol-4-one is sourced from PubChem (CID 67093349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).