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

C11H10F2N2S — CID 64559869

IUPAC[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C11H10F2N2S/c12-8-2-1-7(10(13)4-8)3-11-15-9(5-14)6-16-11/h1-2,4,6H,3,5,14H2
InChIKeyFMZZLBUWTYWFIH-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.47
Rot. Bonds3

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

[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 64559869) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is [2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID64559869
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C11H10F2N2S/c12-8-2-1-7(10(13)4-8)3-11-15-9(5-14)6-16-11/h1-2,4,6H,3,5,14H2
InChIKeyFMZZLBUWTYWFIH-UHFFFAOYSA-N
XLogP2.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine (CID 64559869) is [2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine is NCc1csc(Cc2ccc(F)cc2F)n1.
What is the InChIKey of [2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is FMZZLBUWTYWFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c12-8-2-1-7(10(13)4-8)3-11-15-9(5-14)6-16-11/h1-2,4,6H,3,5,14H2.
What are the key properties of [2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 240.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 64559869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).