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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Related Compounds

4-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 5018022
4-(4-Chlorophenyl)-5-propyl-1,3-thiazol-2-amine
CID 882319
5-Benzyl-4-methyl-1,3-thiazol-2-amine
CID 12384129
4-Methyl-5-((4-methylphenyl)methyl)-1,3-thiazol-2-amine
CID 43431839
4-Cyclopropyl-5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 50989688
4-(2-Chlorophenyl)-5-methylthiazol-2-ylamine
CID 44385578
Bis(2-chlorophenyl)-1,3-thiazol-2-amine
CID 2382933
5-[(3-Fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43431841
4-[(2,4-Dichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 40162106
5-[(2-Chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 23793643
5-Benzyl-4-methyl-1,3-thiazol-2-amine hydrochloride
CID 42956273
5-((2-Fluorophenyl)methyl)-4-methyl-1,3-thiazol-2-amine hydrobromide
CID 45791555

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).