4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine

C10H8F2N2S — CID 83811054

IUPAC4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1c(F)cccc1F
InChIInChI=1S/C10H8F2N2S/c1-5-9(14-10(13)15-5)8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H2,13,14)
InChIKeyACGLVMOLTDYIAV-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.98
Rot. Bonds1

About 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine

4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 83811054) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID83811054
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1c(F)cccc1F
InChIInChI=1S/C10H8F2N2S/c1-5-9(14-10(13)15-5)8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H2,13,14)
InChIKeyACGLVMOLTDYIAV-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine (CID 83811054) is 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is ACGLVMOLTDYIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c1-5-9(14-10(13)15-5)8-6(11)3-2-4-7(8)12/h2-4H,1H3,(H2,13,14).
What are the key properties of 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine?
4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 226.25 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83811054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).