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

C12H18F2N2S — CID 114216270

IUPAC1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)C1CCC(F)(F)C1
InChIInChI=1S/C12H18F2N2S/c1-8-16-10(7-17-8)5-11(15-2)9-3-4-12(13,14)6-9/h7,9,11,15H,3-6H2,1-2H3
InChIKeyINGMBYDHEFHDMJ-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.02
Rot. Bonds4

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

1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 114216270) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID114216270
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1csc(C)n1)C1CCC(F)(F)C1
InChIInChI=1S/C12H18F2N2S/c1-8-16-10(7-17-8)5-11(15-2)9-3-4-12(13,14)6-9/h7,9,11,15H,3-6H2,1-2H3
InChIKeyINGMBYDHEFHDMJ-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 114216270) is 1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1csc(C)n1)C1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is INGMBYDHEFHDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-8-16-10(7-17-8)5-11(15-2)9-3-4-12(13,14)6-9/h7,9,11,15H,3-6H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 260.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 114216270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).