2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane

C9H16BrNO2S — CID 153389943

IUPAC2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane
SMILESCC.COC.O=CCc1csc(Br)n1
InChIInChI=1S/C5H4BrNOS.C2H6O.C2H6/c6-5-7-4(1-2-8)3-9-5;1-3-2;1-2/h2-3H,1H2;1-2H3;1-2H3
InChIKeyLECOLHMFNQLHKF-UHFFFAOYSA-N
MW282.20 g/mol
LogP2.94
Rot. Bonds2

About 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane

2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane (PubChem CID 153389943) has the molecular formula C9H16BrNO2S and a molecular weight of 282.20 g/mol. Its IUPAC name is 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane.

Molecular Properties

Compound Name2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane
PubChem CID153389943
Molecular FormulaC9H16BrNO2S
Molecular Weight282.20 g/mol
Exact Mass281.01
IUPAC Name2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane
SMILESCC.COC.O=CCc1csc(Br)n1
InChIInChI=1S/C5H4BrNOS.C2H6O.C2H6/c6-5-7-4(1-2-8)3-9-5;1-3-2;1-2/h2-3H,1H2;1-2H3;1-2H3
InChIKeyLECOLHMFNQLHKF-UHFFFAOYSA-N
XLogP2.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(bromomethyl)-1,3-thiazol-2-yl]acetaldehyde
CID 87995434
(2-bromo-1,3-thiazol-4-yl)methanethiol
CID 71650235
2-[2-(2-bromophenyl)-1,3-thiazol-4-yl]acetaldehyde
CID 115089496
(2-bromo-1,3-thiazol-4-yl) formate
CID 88857719
2-[2-[methyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetaldehyde
CID 83880353
2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde
CID 115087613
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
butan-2-yl 2-(2-bromo-1,3-thiazol-4-yl)acetate
CID 133060403
N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]butanamide
CID 123465394
2-chloro-N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
CID 54546949
2-(2-bromopyrimidin-4-yl)acetaldehyde
CID 87709722
2-(5-bromothiophen-3-yl)acetaldehyde
CID 87296184

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane?
The IUPAC name of 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane (CID 153389943) is 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane.
What is the SMILES notation for 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane?
The canonical SMILES for 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane is CC.COC.O=CCc1csc(Br)n1.
What is the InChIKey of 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane?
The InChIKey is LECOLHMFNQLHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNOS.C2H6O.C2H6/c6-5-7-4(1-2-8)3-9-5;1-3-2;1-2/h2-3H,1H2;1-2H3;1-2H3.
What are the key properties of 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane?
2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane has a molecular weight of 282.20 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane is sourced from PubChem (CID 153389943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).