4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde

C6H4N2OS — CID 88977722

IUPAC4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1cc2scnc2[nH]1
InChIInChI=1S/C6H4N2OS/c9-2-4-1-5-6(8-4)7-3-10-5/h1-3,8H
InChIKeyYDVOIMVJTUPPNI-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.44
Rot. Bonds1

About 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde

4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde (PubChem CID 88977722) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde
PubChem CID88977722
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1cc2scnc2[nH]1
InChIInChI=1S/C6H4N2OS/c9-2-4-1-5-6(8-4)7-3-10-5/h1-3,8H
InChIKeyYDVOIMVJTUPPNI-UHFFFAOYSA-N
XLogP1.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
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 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde (CID 88977722) is 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde is O=Cc1cc2scnc2[nH]1.
What is the InChIKey of 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde?
The InChIKey is YDVOIMVJTUPPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-2-4-1-5-6(8-4)7-3-10-5/h1-3,8H.
What are the key properties of 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde?
4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde has a molecular weight of 152.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrrolo[2,3-d][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 88977722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).