1,3-thiazol-4-amine;hydrobromide

C3H5BrN2S — CID 84618248

IUPAC1,3-thiazol-4-amine;hydrobromide
SMILESBr.Nc1cscn1
InChIInChI=1S/C3H4N2S.BrH/c4-3-1-6-2-5-3;/h1-2H,4H2;1H
InChIKeyIUMLUZAYPVUOID-UHFFFAOYSA-N
MW181.06 g/mol
LogP1.30
Rot. Bonds

About 1,3-thiazol-4-amine;hydrobromide

1,3-thiazol-4-amine;hydrobromide (PubChem CID 84618248) has the molecular formula C3H5BrN2S and a molecular weight of 181.06 g/mol. Its IUPAC name is 1,3-thiazol-4-amine;hydrobromide.

Molecular Properties

Compound Name1,3-thiazol-4-amine;hydrobromide
PubChem CID84618248
Molecular FormulaC3H5BrN2S
Molecular Weight181.06 g/mol
Exact Mass179.94
IUPAC Name1,3-thiazol-4-amine;hydrobromide
SMILESBr.Nc1cscn1
InChIInChI=1S/C3H4N2S.BrH/c4-3-1-6-2-5-3;/h1-2H,4H2;1H
InChIKeyIUMLUZAYPVUOID-UHFFFAOYSA-N
XLogP1.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.06
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-amine;hydrobromide?
The IUPAC name of 1,3-thiazol-4-amine;hydrobromide (CID 84618248) is 1,3-thiazol-4-amine;hydrobromide.
What is the SMILES notation for 1,3-thiazol-4-amine;hydrobromide?
The canonical SMILES for 1,3-thiazol-4-amine;hydrobromide is Br.Nc1cscn1.
What is the InChIKey of 1,3-thiazol-4-amine;hydrobromide?
The InChIKey is IUMLUZAYPVUOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.BrH/c4-3-1-6-2-5-3;/h1-2H,4H2;1H.
What are the key properties of 1,3-thiazol-4-amine;hydrobromide?
1,3-thiazol-4-amine;hydrobromide has a molecular weight of 181.06 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-amine;hydrobromide is sourced from PubChem (CID 84618248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).