5-bromo-1,3-thiazol-3-ium-2-amine bromide

C3H4Br2N2S — CID 135939231

IUPAC5-bromo-1,3-thiazol-3-ium-2-amine bromide
SMILESNc1[nH+]cc(Br)s1.[Br-]
InChIInChI=1S/C3H3BrN2S.BrH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H
InChIKeyNUSVDASTCPBUIP-UHFFFAOYSA-N
MW259.95 g/mol
LogP-2.09
Rot. Bonds

About 5-bromo-1,3-thiazol-3-ium-2-amine bromide

5-bromo-1,3-thiazol-3-ium-2-amine bromide (PubChem CID 135939231) has the molecular formula C3H4Br2N2S and a molecular weight of 259.95 g/mol. Its IUPAC name is 5-bromo-1,3-thiazol-3-ium-2-amine bromide.

Molecular Properties

Compound Name5-bromo-1,3-thiazol-3-ium-2-amine bromide
PubChem CID135939231
Molecular FormulaC3H4Br2N2S
Molecular Weight259.95 g/mol
Exact Mass257.85
IUPAC Name5-bromo-1,3-thiazol-3-ium-2-amine bromide
SMILESNc1[nH+]cc(Br)s1.[Br-]
InChIInChI=1S/C3H3BrN2S.BrH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H
InChIKeyNUSVDASTCPBUIP-UHFFFAOYSA-N
XLogP-2.09
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.95
LogP ≤ 5-2.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-thiazol-3-ium-2-amine bromide?
The IUPAC name of 5-bromo-1,3-thiazol-3-ium-2-amine bromide (CID 135939231) is 5-bromo-1,3-thiazol-3-ium-2-amine bromide.
What is the SMILES notation for 5-bromo-1,3-thiazol-3-ium-2-amine bromide?
The canonical SMILES for 5-bromo-1,3-thiazol-3-ium-2-amine bromide is Nc1[nH+]cc(Br)s1.[Br-].
What is the InChIKey of 5-bromo-1,3-thiazol-3-ium-2-amine bromide?
The InChIKey is NUSVDASTCPBUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2S.BrH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H.
What are the key properties of 5-bromo-1,3-thiazol-3-ium-2-amine bromide?
5-bromo-1,3-thiazol-3-ium-2-amine bromide has a molecular weight of 259.95 g/mol, XLogP of -2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-thiazol-3-ium-2-amine bromide is sourced from PubChem (CID 135939231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).