2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C13H20F2N2S — CID 114225825

IUPAC2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(CC1CCCC(F)(F)C1)c1csc(C)n1
InChIInChI=1S/C13H20F2N2S/c1-9-17-12(8-18-9)11(16-2)6-10-4-3-5-13(14,15)7-10/h8,10-11,16H,3-7H2,1-2H3
InChIKeyNHOWQBGAZWJWHS-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.93
Rot. Bonds4

About 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 114225825) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID114225825
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC Name2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(CC1CCCC(F)(F)C1)c1csc(C)n1
InChIInChI=1S/C13H20F2N2S/c1-9-17-12(8-18-9)11(16-2)6-10-4-3-5-13(14,15)7-10/h8,10-11,16H,3-7H2,1-2H3
InChIKeyNHOWQBGAZWJWHS-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 114225825) is 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(CC1CCCC(F)(F)C1)c1csc(C)n1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is NHOWQBGAZWJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-9-17-12(8-18-9)11(16-2)6-10-4-3-5-13(14,15)7-10/h8,10-11,16H,3-7H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 274.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 114225825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).