1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C11H11BrN2S — CID 62758358

IUPAC1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESBrc1ccccc1CNCc1cncs1
InChIInChI=1S/C11H11BrN2S/c12-11-4-2-1-3-9(11)5-13-6-10-7-14-8-15-10/h1-4,7-8,13H,5-6H2
InChIKeyYCEOCNFFOQMOLV-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 62758358) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID62758358
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESBrc1ccccc1CNCc1cncs1
InChIInChI=1S/C11H11BrN2S/c12-11-4-2-1-3-9(11)5-13-6-10-7-14-8-15-10/h1-4,7-8,13H,5-6H2
InChIKeyYCEOCNFFOQMOLV-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 62758358) is 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is Brc1ccccc1CNCc1cncs1.
What is the InChIKey of 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is YCEOCNFFOQMOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c12-11-4-2-1-3-9(11)5-13-6-10-7-14-8-15-10/h1-4,7-8,13H,5-6H2.
What are the key properties of 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 283.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 62758358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).