3-cyclopropyl-1,2-thiazole-5-carbaldehyde

C7H7NOS — CID 82416851

IUPAC3-cyclopropyl-1,2-thiazole-5-carbaldehyde
SMILESO=Cc1cc(C2CC2)ns1
InChIInChI=1S/C7H7NOS/c9-4-6-3-7(8-10-6)5-1-2-5/h3-5H,1-2H2
InChIKeyPLJWOEFSDHQNCW-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.83
Rot. Bonds2

About 3-cyclopropyl-1,2-thiazole-5-carbaldehyde

3-cyclopropyl-1,2-thiazole-5-carbaldehyde (PubChem CID 82416851) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 3-cyclopropyl-1,2-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-cyclopropyl-1,2-thiazole-5-carbaldehyde
PubChem CID82416851
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name3-cyclopropyl-1,2-thiazole-5-carbaldehyde
SMILESO=Cc1cc(C2CC2)ns1
InChIInChI=1S/C7H7NOS/c9-4-6-3-7(8-10-6)5-1-2-5/h3-5H,1-2H2
InChIKeyPLJWOEFSDHQNCW-UHFFFAOYSA-N
XLogP1.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,2-thiazole-5-carbaldehyde?
The IUPAC name of 3-cyclopropyl-1,2-thiazole-5-carbaldehyde (CID 82416851) is 3-cyclopropyl-1,2-thiazole-5-carbaldehyde.
What is the SMILES notation for 3-cyclopropyl-1,2-thiazole-5-carbaldehyde?
The canonical SMILES for 3-cyclopropyl-1,2-thiazole-5-carbaldehyde is O=Cc1cc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-1,2-thiazole-5-carbaldehyde?
The InChIKey is PLJWOEFSDHQNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c9-4-6-3-7(8-10-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 3-cyclopropyl-1,2-thiazole-5-carbaldehyde?
3-cyclopropyl-1,2-thiazole-5-carbaldehyde has a molecular weight of 153.21 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,2-thiazole-5-carbaldehyde is sourced from PubChem (CID 82416851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).