2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde

C7H5N3OS — CID 79007074

IUPAC2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cncs2)[nH]1
InChIInChI=1S/C7H5N3OS/c11-3-5-1-9-7(10-5)6-2-8-4-12-6/h1-4H,(H,9,10)
InChIKeyIPJKQNUTBDDGCN-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.35
Rot. Bonds2

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

2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde (PubChem CID 79007074) has the molecular formula C7H5N3OS and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde
PubChem CID79007074
Molecular FormulaC7H5N3OS
Molecular Weight179.20 g/mol
Exact Mass179.02
IUPAC Name2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2cncs2)[nH]1
InChIInChI=1S/C7H5N3OS/c11-3-5-1-9-7(10-5)6-2-8-4-12-6/h1-4H,(H,9,10)
InChIKeyIPJKQNUTBDDGCN-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-5-yl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde (CID 79007074) is 2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde is O=Cc1cnc(-c2cncs2)[nH]1.
What is the InChIKey of 2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde?
The InChIKey is IPJKQNUTBDDGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3OS/c11-3-5-1-9-7(10-5)6-2-8-4-12-6/h1-4H,(H,9,10).
What are the key properties of 2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde?
2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde has a molecular weight of 179.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-yl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 79007074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).