5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde

C7H8N2OS — CID 89468133

IUPAC5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde
SMILESCN1Cc2nc(C=O)sc2C1
InChIInChI=1S/C7H8N2OS/c1-9-2-5-6(3-9)11-7(4-10)8-5/h4H,2-3H2,1H3
InChIKeyPAGKXDSDIQKMSU-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.90
Rot. Bonds1

About 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde

5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde (PubChem CID 89468133) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde
PubChem CID89468133
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde
SMILESCN1Cc2nc(C=O)sc2C1
InChIInChI=1S/C7H8N2OS/c1-9-2-5-6(3-9)11-7(4-10)8-5/h4H,2-3H2,1H3
InChIKeyPAGKXDSDIQKMSU-UHFFFAOYSA-N
XLogP0.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
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 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde?
The IUPAC name of 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde (CID 89468133) is 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde is CN1Cc2nc(C=O)sc2C1.
What is the InChIKey of 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde?
The InChIKey is PAGKXDSDIQKMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-9-2-5-6(3-9)11-7(4-10)8-5/h4H,2-3H2,1H3.
What are the key properties of 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde?
5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde has a molecular weight of 168.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-2-carbaldehyde is sourced from PubChem (CID 89468133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).