5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

C13H14BrClN2S — CID 55188232

IUPAC5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN2S/c1-7(2)12-11(18-13(16)17-12)6-8-5-9(14)3-4-10(8)15/h3-5,7H,6H2,1-2H3,(H2,16,17)
InChIKeyUNNWCKJZDKQXNI-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.86
Rot. Bonds3

About 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine

5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 55188232) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID55188232
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cc(Br)ccc1Cl
InChIInChI=1S/C13H14BrClN2S/c1-7(2)12-11(18-13(16)17-12)6-8-5-9(14)3-4-10(8)15/h3-5,7H,6H2,1-2H3,(H2,16,17)
InChIKeyUNNWCKJZDKQXNI-UHFFFAOYSA-N
XLogP4.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 55188232) is 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1Cc1cc(Br)ccc1Cl.
What is the InChIKey of 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is UNNWCKJZDKQXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c1-7(2)12-11(18-13(16)17-12)6-8-5-9(14)3-4-10(8)15/h3-5,7H,6H2,1-2H3,(H2,16,17).
What are the key properties of 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 345.69 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 55188232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).