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

C9H7NO3S — CID 130571420

IUPAC5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde
SMILESCOc1nc(-c2ccc(C=O)o2)cs1
InChIInChI=1S/C9H7NO3S/c1-12-9-10-7(5-14-9)8-3-2-6(4-11)13-8/h2-5H,1H3
InChIKeyLVHYJXKXIUIPLR-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.22
Rot. Bonds3

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

5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde (PubChem CID 130571420) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde
PubChem CID130571420
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde
SMILESCOc1nc(-c2ccc(C=O)o2)cs1
InChIInChI=1S/C9H7NO3S/c1-12-9-10-7(5-14-9)8-3-2-6(4-11)13-8/h2-5H,1H3
InChIKeyLVHYJXKXIUIPLR-UHFFFAOYSA-N
XLogP2.22
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.22
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 5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde (CID 130571420) is 5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde is COc1nc(-c2ccc(C=O)o2)cs1.
What is the InChIKey of 5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde?
The InChIKey is LVHYJXKXIUIPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-12-9-10-7(5-14-9)8-3-2-6(4-11)13-8/h2-5H,1H3.
What are the key properties of 5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde?
5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde has a molecular weight of 209.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-1,3-thiazol-4-yl)furan-2-carbaldehyde is sourced from PubChem (CID 130571420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).