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

C11H11BrN2S — CID 107577220

IUPAC5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(Br)cc(Cc2cnc(N)s2)c1
InChIInChI=1S/C11H11BrN2S/c1-7-2-8(4-9(12)3-7)5-10-6-14-11(13)15-10/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyUUQFXOKSQFYLIB-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.39
Rot. Bonds2

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

5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 107577220) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID107577220
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(Br)cc(Cc2cnc(N)s2)c1
InChIInChI=1S/C11H11BrN2S/c1-7-2-8(4-9(12)3-7)5-10-6-14-11(13)15-10/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyUUQFXOKSQFYLIB-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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Related Compounds

5-[(3-fluoro-5-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 79050088
5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 63334948
5-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-amine
CID 86062297
5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107577223
5-[(3-bromo-5-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 107577222
5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 16778529
5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine
CID 107800290
5-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79773932
5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 103416449
5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 87629601
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 107622752

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine (CID 107577220) is 5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine is Cc1cc(Br)cc(Cc2cnc(N)s2)c1.
What is the InChIKey of 5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is UUQFXOKSQFYLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-7-2-8(4-9(12)3-7)5-10-6-14-11(13)15-10/h2-4,6H,5H2,1H3,(H2,13,14).
What are the key properties of 5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine?
5-[(3-bromo-5-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-5-methylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 107577220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).