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

C12H12BrClN2S — CID 55130707

IUPAC5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1cc(Br)ccc1Cl
InChIInChI=1S/C12H12BrClN2S/c1-2-10-11(17-12(15)16-10)6-7-5-8(13)3-4-9(7)14/h3-5H,2,6H2,1H3,(H2,15,16)
InChIKeyIBLURWFVITZNQC-UHFFFAOYSA-N
MW331.67 g/mol
LogP4.29
Rot. Bonds3

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

5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 55130707) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID55130707
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1cc(Br)ccc1Cl
InChIInChI=1S/C12H12BrClN2S/c1-2-10-11(17-12(15)16-10)6-7-5-8(13)3-4-9(7)14/h3-5H,2,6H2,1H3,(H2,15,16)
InChIKeyIBLURWFVITZNQC-UHFFFAOYSA-N
XLogP4.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.67
LogP ≤ 54.29
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-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 55130707) is 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1nc(N)sc1Cc1cc(Br)ccc1Cl.
What is the InChIKey of 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is IBLURWFVITZNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c1-2-10-11(17-12(15)16-10)6-7-5-8(13)3-4-9(7)14/h3-5H,2,6H2,1H3,(H2,15,16).
What are the key properties of 5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
5-[(5-bromo-2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 331.67 g/mol, XLogP of 4.29, 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-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55130707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).