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

C12H12BrClN2S — CID 103481119

IUPAC5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1cccc(Cl)c1Br
InChIInChI=1S/C12H12BrClN2S/c1-2-9-10(17-12(15)16-9)6-7-4-3-5-8(14)11(7)13/h3-5H,2,6H2,1H3,(H2,15,16)
InChIKeyBJMJUCUFEOCZQK-UHFFFAOYSA-N
MW331.67 g/mol
LogP4.29
Rot. Bonds3

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

5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 103481119) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is 5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID103481119
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1cccc(Cl)c1Br
InChIInChI=1S/C12H12BrClN2S/c1-2-9-10(17-12(15)16-9)6-7-4-3-5-8(14)11(7)13/h3-5H,2,6H2,1H3,(H2,15,16)
InChIKeyBJMJUCUFEOCZQK-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-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 103481119) is 5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1nc(N)sc1Cc1cccc(Cl)c1Br.
What is the InChIKey of 5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is BJMJUCUFEOCZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c1-2-9-10(17-12(15)16-9)6-7-4-3-5-8(14)11(7)13/h3-5H,2,6H2,1H3,(H2,15,16).
What are the key properties of 5-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
5-[(2-bromo-3-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-[(2-bromo-3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 103481119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).