2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde

C8H6N2O2S — CID 130517750

IUPAC2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(-c2ncc(C=O)s2)co1
InChIInChI=1S/C8H6N2O2S/c1-5-10-7(4-12-5)8-9-2-6(3-11)13-8/h2-4H,1H3
InChIKeySJFRZNYDJNPHSZ-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.92
Rot. Bonds2

About 2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde

2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 130517750) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID130517750
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(-c2ncc(C=O)s2)co1
InChIInChI=1S/C8H6N2O2S/c1-5-10-7(4-12-5)8-9-2-6(3-11)13-8/h2-4H,1H3
InChIKeySJFRZNYDJNPHSZ-UHFFFAOYSA-N
XLogP1.92
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde (CID 130517750) is 2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde is Cc1nc(-c2ncc(C=O)s2)co1.
What is the InChIKey of 2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is SJFRZNYDJNPHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-5-10-7(4-12-5)8-9-2-6(3-11)13-8/h2-4H,1H3.
What are the key properties of 2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde?
2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 194.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-oxazol-4-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 130517750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).