[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine

C12H13BrN2S — CID 112706350

IUPAC[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2ccccc2Br)sc1CN
InChIInChI=1S/C12H13BrN2S/c1-2-10-11(7-14)16-12(15-10)8-5-3-4-6-9(8)13/h3-6H,2,7,14H2,1H3
InChIKeyGMFJDHWRMOQFQJ-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.59
Rot. Bonds3

About [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine

[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine (PubChem CID 112706350) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
PubChem CID112706350
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2ccccc2Br)sc1CN
InChIInChI=1S/C12H13BrN2S/c1-2-10-11(7-14)16-12(15-10)8-5-3-4-6-9(8)13/h3-6H,2,7,14H2,1H3
InChIKeyGMFJDHWRMOQFQJ-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine (CID 112706350) is [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine is CCc1nc(-c2ccccc2Br)sc1CN.
What is the InChIKey of [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is GMFJDHWRMOQFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-2-10-11(7-14)16-12(15-10)8-5-3-4-6-9(8)13/h3-6H,2,7,14H2,1H3.
What are the key properties of [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 297.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 112706350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).