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

C11H10F2N2S — CID 83108024

IUPAC2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine
SMILESCc1sc(Cc2ccc(F)cc2F)nc1N
InChIInChI=1S/C11H10F2N2S/c1-6-11(14)15-10(16-6)4-7-2-3-8(12)5-9(7)13/h2-3,5H,4,14H2,1H3
InChIKeyKKOJQONHHZKFEJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.90
Rot. Bonds2

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

2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine (PubChem CID 83108024) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine
PubChem CID83108024
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine
SMILESCc1sc(Cc2ccc(F)cc2F)nc1N
InChIInChI=1S/C11H10F2N2S/c1-6-11(14)15-10(16-6)4-7-2-3-8(12)5-9(7)13/h2-3,5H,4,14H2,1H3
InChIKeyKKOJQONHHZKFEJ-UHFFFAOYSA-N
XLogP2.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.90
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]-5-methyl-1,3-thiazol-4-amine?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine (CID 83108024) is 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine is Cc1sc(Cc2ccc(F)cc2F)nc1N.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine?
The InChIKey is KKOJQONHHZKFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c1-6-11(14)15-10(16-6)4-7-2-3-8(12)5-9(7)13/h2-3,5H,4,14H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine?
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3-thiazol-4-amine has a molecular weight of 240.28 g/mol, XLogP of 2.90, 2 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]-5-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 83108024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).