1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine

C12H12F2N2S — CID 64544468

IUPAC1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F2N2S/c1-7(15)11-6-17-12(16-11)4-8-2-9(13)5-10(14)3-8/h2-3,5-7H,4,15H2,1H3
InChIKeyVZJKKBGMTKOMCR-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.03
Rot. Bonds3

About 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine

1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 64544468) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID64544468
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F2N2S/c1-7(15)11-6-17-12(16-11)4-8-2-9(13)5-10(14)3-8/h2-3,5-7H,4,15H2,1H3
InChIKeyVZJKKBGMTKOMCR-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine (CID 64544468) is 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is VZJKKBGMTKOMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-7(15)11-6-17-12(16-11)4-8-2-9(13)5-10(14)3-8/h2-3,5-7H,4,15H2,1H3.
What are the key properties of 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 254.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64544468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).