2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde

C7H4N2OS2 — CID 58503981

IUPAC2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2nccs2)s1
InChIInChI=1S/C7H4N2OS2/c10-4-5-3-9-7(12-5)6-8-1-2-11-6/h1-4H
InChIKeyBNILNMKHPLYZMK-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.08
Rot. Bonds2

About 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde

2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 58503981) has the molecular formula C7H4N2OS2 and a molecular weight of 196.26 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID58503981
Molecular FormulaC7H4N2OS2
Molecular Weight196.26 g/mol
Exact Mass195.98
IUPAC Name2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2nccs2)s1
InChIInChI=1S/C7H4N2OS2/c10-4-5-3-9-7(12-5)6-8-1-2-11-6/h1-4H
InChIKeyBNILNMKHPLYZMK-UHFFFAOYSA-N
XLogP2.08
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.08
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 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde (CID 58503981) is 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2nccs2)s1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is BNILNMKHPLYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2OS2/c10-4-5-3-9-7(12-5)6-8-1-2-11-6/h1-4H.
What are the key properties of 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 196.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 58503981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).