2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde

C11H15NO2S — CID 115091091

IUPAC2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(CC2CCCOC2)s1
InChIInChI=1S/C11H15NO2S/c13-4-3-10-7-12-11(15-10)6-9-2-1-5-14-8-9/h4,7,9H,1-3,5-6,8H2
InChIKeyUCKHQTWGVXRSEX-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.85
Rot. Bonds4

About 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde

2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 115091091) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
PubChem CID115091091
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(CC2CCCOC2)s1
InChIInChI=1S/C11H15NO2S/c13-4-3-10-7-12-11(15-10)6-9-2-1-5-14-8-9/h4,7,9H,1-3,5-6,8H2
InChIKeyUCKHQTWGVXRSEX-UHFFFAOYSA-N
XLogP1.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.85
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

1-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115091092
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090212
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987689
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]acetaldehyde
CID 115090061
2-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-5-yl]acetaldehyde
CID 115090786
1-[2-[[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopropane-1-carboxylic acid
CID 167982861
3-(oxan-3-ylmethyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 115080133
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 79764596
3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140259
2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115089914
5-fluoro-N-[5-(oxan-3-ylmethyl)-1,3-thiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 167963168
[5-(oxan-3-ylmethyl)-1,2-oxazol-4-yl]methanol
CID 115093628

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde (CID 115091091) is 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde is O=CCc1cnc(CC2CCCOC2)s1.
What is the InChIKey of 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is UCKHQTWGVXRSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-4-3-10-7-12-11(15-10)6-9-2-1-5-14-8-9/h4,7,9H,1-3,5-6,8H2.
What are the key properties of 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde?
2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 225.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 115091091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).