2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine

C11H10Br2N2S — CID 5207559

IUPAC2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2cc(Br)ccc2Br)cs1
InChIInChI=1S/C11H10Br2N2S/c12-7-1-2-9(13)8(5-7)10-6-16-11(15-10)3-4-14/h1-2,5-6H,3-4,14H2
InChIKeyMQXZWBMEGDTPQY-UHFFFAOYSA-N
MW362.09 g/mol
LogP3.84
Rot. Bonds3

About 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine

2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 5207559) has the molecular formula C11H10Br2N2S and a molecular weight of 362.09 g/mol. Its IUPAC name is 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID5207559
Molecular FormulaC11H10Br2N2S
Molecular Weight362.09 g/mol
Exact Mass359.89
IUPAC Name2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2cc(Br)ccc2Br)cs1
InChIInChI=1S/C11H10Br2N2S/c12-7-1-2-9(13)8(5-7)10-6-16-11(15-10)3-4-14/h1-2,5-6H,3-4,14H2
InChIKeyMQXZWBMEGDTPQY-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.09
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine (CID 5207559) is 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2cc(Br)ccc2Br)cs1.
What is the InChIKey of 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is MQXZWBMEGDTPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2S/c12-7-1-2-9(13)8(5-7)10-6-16-11(15-10)3-4-14/h1-2,5-6H,3-4,14H2.
What are the key properties of 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 362.09 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dibromophenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 5207559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).