5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde

C8H5NOS2 — CID 165455448

IUPAC5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cscn2)s1
InChIInChI=1S/C8H5NOS2/c10-3-6-1-2-8(12-6)7-4-11-5-9-7/h1-5H
InChIKeyOVMFSMCJIYMMEF-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.68
Rot. Bonds2

About 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde

5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde (PubChem CID 165455448) has the molecular formula C8H5NOS2 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde
PubChem CID165455448
Molecular FormulaC8H5NOS2
Molecular Weight195.27 g/mol
Exact Mass194.98
IUPAC Name5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cscn2)s1
InChIInChI=1S/C8H5NOS2/c10-3-6-1-2-8(12-6)7-4-11-5-9-7/h1-5H
InChIKeyOVMFSMCJIYMMEF-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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Related Compounds

5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carboxaldehyde
CID 2776469
2-(Thiophen-2-yl)-1,3-thiazole-4-carbaldehyde
CID 18411551
3-(1,3-Thiazol-4-yl)benzaldehyde
CID 86695611
5-[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]thiophene-2-carbaldehyde
CID 122635770
Ethyl 2-(4-(5-formylthiophen-2-yl)thiazol-2-yl)acetate
CID 145706950
5-(2-Methyl-1,3-thiazol-4-YL)-2-thiophenecarbonyl chloride
CID 2795364
4-(Thiazol-4-yl)benzaldehyde
CID 15045330
1-[5-(4-Methyl-1,3-thiazol-2-yl)thiophen-2-yl]ethanone
CID 57833759
3-[5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl]propanal
CID 57833857
3-[2-(5-Acetylthiophen-2-yl)-1,3-thiazol-4-yl]propanal
CID 57834193
5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-carboxamide
CID 68802947
5-(1,3-Thiazol-4-yl)thiophene-2-carboxylic acid
CID 69725035

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde (CID 165455448) is 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2cscn2)s1.
What is the InChIKey of 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
The InChIKey is OVMFSMCJIYMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS2/c10-3-6-1-2-8(12-6)7-4-11-5-9-7/h1-5H.
What are the key properties of 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde?
5-(1,3-thiazol-4-yl)thiophene-2-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 5-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 165455448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).