5-(3-bromophenyl)-1,3-thiazol-2-amine

C9H7BrN2S — CID 53416461

IUPAC5-(3-bromophenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc(Br)c2)s1
InChIInChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,(H2,11,12)
InChIKeyZBUNAYPJPKAVDZ-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.15
Rot. Bonds1

About 5-(3-bromophenyl)-1,3-thiazol-2-amine

5-(3-bromophenyl)-1,3-thiazol-2-amine (PubChem CID 53416461) has the molecular formula C9H7BrN2S and a molecular weight of 255.14 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-1,3-thiazol-2-amine
PubChem CID53416461
Molecular FormulaC9H7BrN2S
Molecular Weight255.14 g/mol
Exact Mass253.95
IUPAC Name5-(3-bromophenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc(Br)c2)s1
InChIInChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,(H2,11,12)
InChIKeyZBUNAYPJPKAVDZ-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-1,3-thiazol-2-amine (CID 53416461) is 5-(3-bromophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-1,3-thiazol-2-amine is Nc1ncc(-c2cccc(Br)c2)s1.
What is the InChIKey of 5-(3-bromophenyl)-1,3-thiazol-2-amine?
The InChIKey is ZBUNAYPJPKAVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,(H2,11,12).
What are the key properties of 5-(3-bromophenyl)-1,3-thiazol-2-amine?
5-(3-bromophenyl)-1,3-thiazol-2-amine has a molecular weight of 255.14 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53416461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).