2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde

C10H6N2O2S2 — CID 82382759

IUPAC2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde
SMILESCc1ncc(-c2nc3c(C=O)scc3o2)s1
InChIInChI=1S/C10H6N2O2S2/c1-5-11-2-7(16-5)10-12-9-6(14-10)4-15-8(9)3-13/h2-4H,1H3
InChIKeyIORSKRRAGLLALO-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.13
Rot. Bonds2

About 2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde

2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde (PubChem CID 82382759) has the molecular formula C10H6N2O2S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde
PubChem CID82382759
Molecular FormulaC10H6N2O2S2
Molecular Weight250.30 g/mol
Exact Mass249.99
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde
SMILESCc1ncc(-c2nc3c(C=O)scc3o2)s1
InChIInChI=1S/C10H6N2O2S2/c1-5-11-2-7(16-5)10-12-9-6(14-10)4-15-8(9)3-13/h2-4H,1H3
InChIKeyIORSKRRAGLLALO-UHFFFAOYSA-N
XLogP3.13
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde (CID 82382759) is 2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde is Cc1ncc(-c2nc3c(C=O)scc3o2)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde?
The InChIKey is IORSKRRAGLLALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2S2/c1-5-11-2-7(16-5)10-12-9-6(14-10)4-15-8(9)3-13/h2-4H,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde?
2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)thieno[3,4-d][1,3]oxazole-4-carbaldehyde is sourced from PubChem (CID 82382759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).