2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione

C6H4N2O2S — CID 59703749

IUPAC2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione
SMILESCc1nc2c(s1)C(=O)NC2=O
InChIInChI=1S/C6H4N2O2S/c1-2-7-3-4(11-2)6(10)8-5(3)9/h1H3,(H,8,9,10)
InChIKeyCNRJPRRLZSKRIZ-UHFFFAOYSA-N
MW168.18 g/mol
LogP0.34
Rot. Bonds

About 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione

2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione (PubChem CID 59703749) has the molecular formula C6H4N2O2S and a molecular weight of 168.18 g/mol. Its IUPAC name is 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione.

Molecular Properties

Compound Name2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione
PubChem CID59703749
Molecular FormulaC6H4N2O2S
Molecular Weight168.18 g/mol
Exact Mass168.00
IUPAC Name2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione
SMILESCc1nc2c(s1)C(=O)NC2=O
InChIInChI=1S/C6H4N2O2S/c1-2-7-3-4(11-2)6(10)8-5(3)9/h1H3,(H,8,9,10)
InChIKeyCNRJPRRLZSKRIZ-UHFFFAOYSA-N
XLogP0.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione?
The IUPAC name of 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione (CID 59703749) is 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione.
What is the SMILES notation for 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione?
The canonical SMILES for 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione is Cc1nc2c(s1)C(=O)NC2=O.
What is the InChIKey of 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione?
The InChIKey is CNRJPRRLZSKRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2S/c1-2-7-3-4(11-2)6(10)8-5(3)9/h1H3,(H,8,9,10).
What are the key properties of 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione?
2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione has a molecular weight of 168.18 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolo[3,4-d][1,3]thiazole-4,6-dione is sourced from PubChem (CID 59703749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).