4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde

C9H7ClN2O2S — CID 53273546

IUPAC4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(NCc2ccco2)nc1Cl
InChIInChI=1S/C9H7ClN2O2S/c10-8-7(5-13)15-9(12-8)11-4-6-2-1-3-14-6/h1-3,5H,4H2,(H,11,12)
InChIKeyZHDKFRHEPJNZPG-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.81
Rot. Bonds4

About 4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 53273546) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID53273546
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(NCc2ccco2)nc1Cl
InChIInChI=1S/C9H7ClN2O2S/c10-8-7(5-13)15-9(12-8)11-4-6-2-1-3-14-6/h1-3,5H,4H2,(H,11,12)
InChIKeyZHDKFRHEPJNZPG-UHFFFAOYSA-N
XLogP2.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.81
H-Bond Donors ≤ 51
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-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde (CID 53273546) is 4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(NCc2ccco2)nc1Cl.
What is the InChIKey of 4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is ZHDKFRHEPJNZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-8-7(5-13)15-9(12-8)11-4-6-2-1-3-14-6/h1-3,5H,4H2,(H,11,12).
What are the key properties of 4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 242.69 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-ylmethylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 53273546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).