4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one

C11H15F3N2OS — CID 106379917

IUPAC4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)7-2-1-3-8(4-7)15-5-9-6-18-10(17)16-9/h6-8,15H,1-5H2,(H,16,17)
InChIKeyBGDNWHXQKCYYJW-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.65
Rot. Bonds3

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

4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379917) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379917
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCC(C(F)(F)F)C2)cs1
InChIInChI=1S/C11H15F3N2OS/c12-11(13,14)7-2-1-3-8(4-7)15-5-9-6-18-10(17)16-9/h6-8,15H,1-5H2,(H,16,17)
InChIKeyBGDNWHXQKCYYJW-UHFFFAOYSA-N
XLogP2.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106379917) is 4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCCC(C(F)(F)F)C2)cs1.
What is the InChIKey of 4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BGDNWHXQKCYYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c12-11(13,14)7-2-1-3-8(4-7)15-5-9-6-18-10(17)16-9/h6-8,15H,1-5H2,(H,16,17).
What are the key properties of 4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 280.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).