5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

C13H13Cl2FN2S — CID 83078293

IUPAC5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H13Cl2FN2S/c1-6(2)12-11(19-13(17)18-12)5-8-9(14)3-7(16)4-10(8)15/h3-4,6H,5H2,1-2H3,(H2,17,18)
InChIKeySCRUTVKZOXHFIZ-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.89
Rot. Bonds3

About 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 83078293) has the molecular formula C13H13Cl2FN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID83078293
Molecular FormulaC13H13Cl2FN2S
Molecular Weight319.23 g/mol
Exact Mass318.02
IUPAC Name5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H13Cl2FN2S/c1-6(2)12-11(19-13(17)18-12)5-8-9(14)3-7(16)4-10(8)15/h3-4,6H,5H2,1-2H3,(H2,17,18)
InChIKeySCRUTVKZOXHFIZ-UHFFFAOYSA-N
XLogP4.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 83078293) is 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1Cc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is SCRUTVKZOXHFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN2S/c1-6(2)12-11(19-13(17)18-12)5-8-9(14)3-7(16)4-10(8)15/h3-4,6H,5H2,1-2H3,(H2,17,18).
What are the key properties of 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 319.23 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 83078293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).