(2-bromo-1,3-thiazol-5-yl)-ethoxymethanol

C6H8BrNO2S — CID 134387990

IUPAC(2-bromo-1,3-thiazol-5-yl)-ethoxymethanol
SMILESCCOC(O)c1cnc(Br)s1
InChIInChI=1S/C6H8BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3,5,9H,2H2,1H3
InChIKeyACXJRFNOECCBAN-UHFFFAOYSA-N
MW238.11 g/mol
LogP1.93
Rot. Bonds3

About (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol

(2-bromo-1,3-thiazol-5-yl)-ethoxymethanol (PubChem CID 134387990) has the molecular formula C6H8BrNO2S and a molecular weight of 238.11 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol.

Molecular Properties

Compound Name(2-bromo-1,3-thiazol-5-yl)-ethoxymethanol
PubChem CID134387990
Molecular FormulaC6H8BrNO2S
Molecular Weight238.11 g/mol
Exact Mass236.95
IUPAC Name(2-bromo-1,3-thiazol-5-yl)-ethoxymethanol
SMILESCCOC(O)c1cnc(Br)s1
InChIInChI=1S/C6H8BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3,5,9H,2H2,1H3
InChIKeyACXJRFNOECCBAN-UHFFFAOYSA-N
XLogP1.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethanamine
CID 96955798
ethyl 2-amino-3-(2-bromo-1,3-thiazol-5-yl)propanoate
CID 170884990
3-(2-bromo-1,3-thiazol-5-yl)-4-methylhexanenitrile
CID 155247382
1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol
CID 116728250
6-chloro-N-[5-[ethoxy(hydroxy)methyl]-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 155176302
2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole
CID 116734663
2-bromo-5-(2-methoxyethyl)-1,3-thiazole
CID 117259730
(3-bromophenyl)-ethoxymethanol
CID 142187361
1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 116727757
2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 54595729
2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole
CID 117192611
(4-bromo-1,5-dimethylpyrazol-3-yl)-ethoxymethanol
CID 167040438

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol?
The IUPAC name of (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol (CID 134387990) is (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol.
What is the SMILES notation for (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol?
The canonical SMILES for (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol is CCOC(O)c1cnc(Br)s1.
What is the InChIKey of (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol?
The InChIKey is ACXJRFNOECCBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3,5,9H,2H2,1H3.
What are the key properties of (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol?
(2-bromo-1,3-thiazol-5-yl)-ethoxymethanol has a molecular weight of 238.11 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,3-thiazol-5-yl)-ethoxymethanol is sourced from PubChem (CID 134387990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).