3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one

C9H14BrNO2S — CID 91455730

IUPAC3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCCCCCBr
InChIInChI=1S/C9H14BrNO2S/c10-5-3-1-2-4-6-11-8(12)7-14-9(11)13/h7,12H,1-6H2
InChIKeyVVTLLERXRFUODU-UHFFFAOYSA-N
MW280.19 g/mol
LogP2.57
Rot. Bonds6

About 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one

3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one (PubChem CID 91455730) has the molecular formula C9H14BrNO2S and a molecular weight of 280.19 g/mol. Its IUPAC name is 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one
PubChem CID91455730
Molecular FormulaC9H14BrNO2S
Molecular Weight280.19 g/mol
Exact Mass278.99
IUPAC Name3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCCCCCBr
InChIInChI=1S/C9H14BrNO2S/c10-5-3-1-2-4-6-11-8(12)7-14-9(11)13/h7,12H,1-6H2
InChIKeyVVTLLERXRFUODU-UHFFFAOYSA-N
XLogP2.57
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromobutyl)pyrrole-2,5-diol
CID 54510028
tert-butyl-[2-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)ethyl]carbamic acid
CID 123906695
1,3-bis(5-bromopentyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 15472270
3-(4-hydroxybutyl)-4-methyl-1,3-thiazol-2-one
CID 43509713
1,3,5-tris(3-bromopropyl)-1,3,5-triazinane-2,4,6-trione
CID 18373663
3-(6-chlorohexyl)-4-methyl-1,3-thiazol-2-one
CID 62228753
3-[4-(3,4-dihydro-2H-chromen-2-ylmethylamino)butyl]-4-hydroxy-1,3-thiazol-2-one
CID 90973056
4-[(4-hydroxy-2-oxo-1,3-thiazol-3-yl)methyl]-N-phenylbenzamide
CID 91001525
1-[10-(2,5-dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol
CID 54293191
4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
CID 16768110
1-(8-bromooctyl)-3,6-dimethylpyrimidine-2,4-dione
CID 2063415
3-(5-bromopentyl)-1,3-benzoxazol-2-one
CID 24806895

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one (CID 91455730) is 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one is O=c1scc(O)n1CCCCCCBr.
What is the InChIKey of 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is VVTLLERXRFUODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S/c10-5-3-1-2-4-6-11-8(12)7-14-9(11)13/h7,12H,1-6H2.
What are the key properties of 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one?
3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 280.19 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromohexyl)-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 91455730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).