2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde

C10H13NOS2 — CID 115089914

IUPAC2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(C2CCSCC2)s1
InChIInChI=1S/C10H13NOS2/c12-4-1-9-7-11-10(14-9)8-2-5-13-6-3-8/h4,7-8H,1-3,5-6H2
InChIKeyZVNHLCKNMSZXQX-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds3

About 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde

2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 115089914) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde
PubChem CID115089914
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC Name2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(C2CCSCC2)s1
InChIInChI=1S/C10H13NOS2/c12-4-1-9-7-11-10(14-9)8-2-5-13-6-3-8/h4,7-8H,1-3,5-6H2
InChIKeyZVNHLCKNMSZXQX-UHFFFAOYSA-N
XLogP2.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
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-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115089786
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090499
N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089835
1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089939
N-methyl-1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 115089837
[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine
CID 65423825
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090212
[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol
CID 115090327
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115698880
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 115699018
2-cyclopropyl-5-iodo-1,3-thiazole
CID 126976994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde (CID 115089914) is 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde is O=CCc1cnc(C2CCSCC2)s1.
What is the InChIKey of 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is ZVNHLCKNMSZXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c12-4-1-9-7-11-10(14-9)8-2-5-13-6-3-8/h4,7-8H,1-3,5-6H2.
What are the key properties of 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde?
2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 227.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 115089914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).