2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde

C8H5NOS2 — CID 18411551

IUPAC2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2cccs2)n1
InChIInChI=1S/C8H5NOS2/c10-4-6-5-12-8(9-6)7-2-1-3-11-7/h1-5H
InChIKeyJBPRGDHUZOZOIF-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.68
Rot. Bonds2

About 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde

2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde (PubChem CID 18411551) has the molecular formula C8H5NOS2 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde
PubChem CID18411551
Molecular FormulaC8H5NOS2
Molecular Weight195.27 g/mol
Exact Mass194.98
IUPAC Name2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(-c2cccs2)n1
InChIInChI=1S/C8H5NOS2/c10-4-6-5-12-8(9-6)7-2-1-3-11-7/h1-5H
InChIKeyJBPRGDHUZOZOIF-UHFFFAOYSA-N
XLogP2.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde (CID 18411551) is 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde is O=Cc1csc(-c2cccs2)n1.
What is the InChIKey of 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde?
The InChIKey is JBPRGDHUZOZOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS2/c10-4-6-5-12-8(9-6)7-2-1-3-11-7/h1-5H.
What are the key properties of 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde?
2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde has a molecular weight of 195.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 18411551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).