2-bromo-1,3-thiazol-5-amine;hydrobromide

C3H4Br2N2S — CID 131699865

IUPAC2-bromo-1,3-thiazol-5-amine;hydrobromide
SMILESBr.Nc1cnc(Br)s1
InChIInChI=1S/C3H3BrN2S.BrH/c4-3-6-1-2(5)7-3;/h1H,5H2;1H
InChIKeyQBMFOTNSUDKPED-UHFFFAOYSA-N
MW259.95 g/mol
LogP2.07
Rot. Bonds

About 2-bromo-1,3-thiazol-5-amine;hydrobromide

2-bromo-1,3-thiazol-5-amine;hydrobromide (PubChem CID 131699865) has the molecular formula C3H4Br2N2S and a molecular weight of 259.95 g/mol. Its IUPAC name is 2-bromo-1,3-thiazol-5-amine;hydrobromide.

Molecular Properties

Compound Name2-bromo-1,3-thiazol-5-amine;hydrobromide
PubChem CID131699865
Molecular FormulaC3H4Br2N2S
Molecular Weight259.95 g/mol
Exact Mass257.85
IUPAC Name2-bromo-1,3-thiazol-5-amine;hydrobromide
SMILESBr.Nc1cnc(Br)s1
InChIInChI=1S/C3H3BrN2S.BrH/c4-3-6-1-2(5)7-3;/h1H,5H2;1H
InChIKeyQBMFOTNSUDKPED-UHFFFAOYSA-N
XLogP2.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.95
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-thiazol-5-amine;hydrobromide?
The IUPAC name of 2-bromo-1,3-thiazol-5-amine;hydrobromide (CID 131699865) is 2-bromo-1,3-thiazol-5-amine;hydrobromide.
What is the SMILES notation for 2-bromo-1,3-thiazol-5-amine;hydrobromide?
The canonical SMILES for 2-bromo-1,3-thiazol-5-amine;hydrobromide is Br.Nc1cnc(Br)s1.
What is the InChIKey of 2-bromo-1,3-thiazol-5-amine;hydrobromide?
The InChIKey is QBMFOTNSUDKPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2S.BrH/c4-3-6-1-2(5)7-3;/h1H,5H2;1H.
What are the key properties of 2-bromo-1,3-thiazol-5-amine;hydrobromide?
2-bromo-1,3-thiazol-5-amine;hydrobromide has a molecular weight of 259.95 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-thiazol-5-amine;hydrobromide is sourced from PubChem (CID 131699865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).