2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde

C8H11NO2S — CID 115087613

IUPAC2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde
SMILESO=CCc1csc(CCCO)n1
InChIInChI=1S/C8H11NO2S/c10-4-1-2-8-9-7(3-5-11)6-12-8/h5-6,10H,1-4H2
InChIKeyKRKRWESCMWQKHC-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.81
Rot. Bonds5

About 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde

2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde (PubChem CID 115087613) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde
PubChem CID115087613
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde
SMILESO=CCc1csc(CCCO)n1
InChIInChI=1S/C8H11NO2S/c10-4-1-2-8-9-7(3-5-11)6-12-8/h5-6,10H,1-4H2
InChIKeyKRKRWESCMWQKHC-UHFFFAOYSA-N
XLogP0.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115087624
2-[4-(bromomethyl)-1,3-thiazol-2-yl]acetaldehyde
CID 87995434
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
5-(4-bromo-1,3-thiazol-2-yl)pentan-1-ol
CID 86191561
acetic acid;4-ethyl-2-tridecyl-1,3-thiazole
CID 70113929
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 82121362
2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]acetamide
CID 82547698
2-(2-bromo-1,3-thiazol-4-yl)acetaldehyde;ethane;methoxymethane
CID 153389943
2-octyl-4-propyl-1,3-thiazole
CID 86124626

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde?
The IUPAC name of 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde (CID 115087613) is 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde?
The canonical SMILES for 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde is O=CCc1csc(CCCO)n1.
What is the InChIKey of 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde?
The InChIKey is KRKRWESCMWQKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-4-1-2-8-9-7(3-5-11)6-12-8/h5-6,10H,1-4H2.
What are the key properties of 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde?
2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde has a molecular weight of 185.25 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)-1,3-thiazol-4-yl]acetaldehyde is sourced from PubChem (CID 115087613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).