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

C13H14F2N2OS — CID 61281507

IUPAC1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccccc2OC(F)F)sc1C(C)N
InChIInChI=1S/C13H14F2N2OS/c1-7(16)11-8(2)17-12(19-11)9-5-3-4-6-10(9)18-13(14)15/h3-7,13H,16H2,1-2H3
InChIKeyUBSABWWFULPUKG-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.74
Rot. Bonds4

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

1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 61281507) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID61281507
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2ccccc2OC(F)F)sc1C(C)N
InChIInChI=1S/C13H14F2N2OS/c1-7(16)11-8(2)17-12(19-11)9-5-3-4-6-10(9)18-13(14)15/h3-7,13H,16H2,1-2H3
InChIKeyUBSABWWFULPUKG-UHFFFAOYSA-N
XLogP3.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 61281507) is 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2ccccc2OC(F)F)sc1C(C)N.
What is the InChIKey of 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is UBSABWWFULPUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-7(16)11-8(2)17-12(19-11)9-5-3-4-6-10(9)18-13(14)15/h3-7,13H,16H2,1-2H3.
What are the key properties of 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 284.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61281507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).