5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine

C13H14F2N2S — CID 82819585

IUPAC5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(F)c(C(C)c2sc(N)nc2C)c1F
InChIInChI=1S/C13H14F2N2S/c1-6-4-5-9(14)10(11(6)15)7(2)12-8(3)17-13(16)18-12/h4-5,7H,1-3H3,(H2,16,17)
InChIKeyGGTHFDDCAYTTAN-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.77
Rot. Bonds2

About 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine

5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 82819585) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID82819585
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(F)c(C(C)c2sc(N)nc2C)c1F
InChIInChI=1S/C13H14F2N2S/c1-6-4-5-9(14)10(11(6)15)7(2)12-8(3)17-13(16)18-12/h4-5,7H,1-3H3,(H2,16,17)
InChIKeyGGTHFDDCAYTTAN-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (CID 82819585) is 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is Cc1ccc(F)c(C(C)c2sc(N)nc2C)c1F.
What is the InChIKey of 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GGTHFDDCAYTTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-6-4-5-9(14)10(11(6)15)7(2)12-8(3)17-13(16)18-12/h4-5,7H,1-3H3,(H2,16,17).
What are the key properties of 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 268.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82819585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).