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

C11H11BrN2S — CID 63334948

IUPAC5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2cnc(N)s2)cc1Br
InChIInChI=1S/C11H11BrN2S/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeySYNMKFCMKNGZCZ-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.39
Rot. Bonds2

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

5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 63334948) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID63334948
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Cc2cnc(N)s2)cc1Br
InChIInChI=1S/C11H11BrN2S/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6H,4H2,1H3,(H2,13,14)
InChIKeySYNMKFCMKNGZCZ-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 63334948) is 5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1ccc(Cc2cnc(N)s2)cc1Br.
What is the InChIKey of 5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is SYNMKFCMKNGZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-7-2-3-8(5-10(7)12)4-9-6-14-11(13)15-9/h2-3,5-6H,4H2,1H3,(H2,13,14).
What are the key properties of 5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine?
5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 283.19 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63334948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).