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

C13H15BrN2S — CID 62065567

IUPAC5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccc(Br)c(C)c1
InChIInChI=1S/C13H15BrN2S/c1-3-11-12(17-13(15)16-11)7-9-4-5-10(14)8(2)6-9/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyLZBPZSLDJYPROL-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.95
Rot. Bonds3

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

5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 62065567) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID62065567
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1Cc1ccc(Br)c(C)c1
InChIInChI=1S/C13H15BrN2S/c1-3-11-12(17-13(15)16-11)7-9-4-5-10(14)8(2)6-9/h4-6H,3,7H2,1-2H3,(H2,15,16)
InChIKeyLZBPZSLDJYPROL-UHFFFAOYSA-N
XLogP3.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 62065567) is 5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1nc(N)sc1Cc1ccc(Br)c(C)c1.
What is the InChIKey of 5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is LZBPZSLDJYPROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-3-11-12(17-13(15)16-11)7-9-4-5-10(14)8(2)6-9/h4-6H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of 5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 311.25 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3-methylphenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62065567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).