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

C11H11BrN2S — CID 43637217

IUPAC5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1cccc(Br)c1
InChIInChI=1S/C11H11BrN2S/c1-7-10(15-11(13)14-7)6-8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyXKQIUSPCVXPJQA-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.39
Rot. Bonds2

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

5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43637217) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43637217
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1cccc(Br)c1
InChIInChI=1S/C11H11BrN2S/c1-7-10(15-11(13)14-7)6-8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyXKQIUSPCVXPJQA-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-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 43637217) is 5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1Cc1cccc(Br)c1.
What is the InChIKey of 5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is XKQIUSPCVXPJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-7-10(15-11(13)14-7)6-8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H2,13,14).
What are the key properties of 5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
5-[(3-bromophenyl)methyl]-4-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-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43637217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).