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

C8H6N2O2S — CID 18411550

IUPAC4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde
SMILESCc1cc(-c2csc(C=O)n2)on1
InChIInChI=1S/C8H6N2O2S/c1-5-2-7(12-10-5)6-4-13-8(3-11)9-6/h2-4H,1H3
InChIKeySBPOZSCCKKYFGN-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.92
Rot. Bonds2

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

4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde (PubChem CID 18411550) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde
PubChem CID18411550
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde
SMILESCc1cc(-c2csc(C=O)n2)on1
InChIInChI=1S/C8H6N2O2S/c1-5-2-7(12-10-5)6-4-13-8(3-11)9-6/h2-4H,1H3
InChIKeySBPOZSCCKKYFGN-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 4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde (CID 18411550) is 4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde is Cc1cc(-c2csc(C=O)n2)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is SBPOZSCCKKYFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-5-2-7(12-10-5)6-4-13-8(3-11)9-6/h2-4H,1H3.
What are the key properties of 4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde?
4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-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 4-(3-methyl-1,2-oxazol-5-yl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 18411550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).