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

C9H11NOS2 — CID 115089786

IUPAC2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(C2CCSC2)s1
InChIInChI=1S/C9H11NOS2/c11-3-1-8-5-10-9(13-8)7-2-4-12-6-7/h3,5,7H,1-2,4,6H2
InChIKeyAGMKDVVAZJJMQG-UHFFFAOYSA-N
MW213.33 g/mol
LogP2.11
Rot. Bonds3

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

2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 115089786) has the molecular formula C9H11NOS2 and a molecular weight of 213.33 g/mol. Its IUPAC name is 2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde
PubChem CID115089786
Molecular FormulaC9H11NOS2
Molecular Weight213.33 g/mol
Exact Mass213.03
IUPAC Name2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(C2CCSC2)s1
InChIInChI=1S/C9H11NOS2/c11-3-1-8-5-10-9(13-8)7-2-4-12-6-7/h3,5,7H,1-2,4,6H2
InChIKeyAGMKDVVAZJJMQG-UHFFFAOYSA-N
XLogP2.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 52.11
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-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115089914
N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089835
N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089837
[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol
CID 115090327
5-chloro-2-(thiolan-3-yl)-1,3-thiazole
CID 117259063
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanone
CID 115089759
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090499
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089750
2-[2-(thian-3-yl)-1,3-thiazol-4-yl]acetaldehyde
CID 115088245
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090212
2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090378
[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine
CID 65423825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde (CID 115089786) is 2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde is O=CCc1cnc(C2CCSC2)s1.
What is the InChIKey of 2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is AGMKDVVAZJJMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS2/c11-3-1-8-5-10-9(13-8)7-2-4-12-6-7/h3,5,7H,1-2,4,6H2.
What are the key properties of 2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde?
2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 213.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 115089786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).