4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide

C4H5Br2NOS — CID 20542471

IUPAC4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide
SMILESBr.Cn1scc(Br)c1=O
InChIInChI=1S/C4H4BrNOS.BrH/c1-6-4(7)3(5)2-8-6;/h2H,1H3;1H
InChIKeyKJHNFJZWEDNDIJ-UHFFFAOYSA-N
MW274.97 g/mol
LogP1.79
Rot. Bonds

About 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide

4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide (PubChem CID 20542471) has the molecular formula C4H5Br2NOS and a molecular weight of 274.97 g/mol. Its IUPAC name is 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide.

Molecular Properties

Compound Name4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide
PubChem CID20542471
Molecular FormulaC4H5Br2NOS
Molecular Weight274.97 g/mol
Exact Mass272.85
IUPAC Name4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide
SMILESBr.Cn1scc(Br)c1=O
InChIInChI=1S/C4H4BrNOS.BrH/c1-6-4(7)3(5)2-8-6;/h2H,1H3;1H
InChIKeyKJHNFJZWEDNDIJ-UHFFFAOYSA-N
XLogP1.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.97
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-2-ethyl-1,2-thiazol-3-one
CID 21627117
4-Bromo-2-ethyl-1-oxo-1,2-thiazol-3-one
CID 15963623
4-Bromo-2-butyl-1,2-thiazol-3-one
CID 12368341
4,5-Dibromo-2-methyl-1,2-thiazol-3-one
CID 12368350
4-Bromo-2-methyl-1,2-thiazol-3-one
CID 13013774

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide?
The IUPAC name of 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide (CID 20542471) is 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide.
What is the SMILES notation for 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide?
The canonical SMILES for 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide is Br.Cn1scc(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide?
The InChIKey is KJHNFJZWEDNDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNOS.BrH/c1-6-4(7)3(5)2-8-6;/h2H,1H3;1H.
What are the key properties of 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide?
4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide has a molecular weight of 274.97 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1,2-thiazol-3-one;hydrobromide is sourced from PubChem (CID 20542471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).