2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one

C6H6N2OS — CID 118330359

IUPAC2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
SMILESCc1nc2c(s1)C(=O)NC2
InChIInChI=1S/C6H6N2OS/c1-3-8-4-2-7-6(9)5(4)10-3/h2H2,1H3,(H,7,9)
InChIKeyJCRCDLSWRMEYIR-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.69
Rot. Bonds

About 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one

2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one (PubChem CID 118330359) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one.

Molecular Properties

Compound Name2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
PubChem CID118330359
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one
SMILESCc1nc2c(s1)C(=O)NC2
InChIInChI=1S/C6H6N2OS/c1-3-8-4-2-7-6(9)5(4)10-3/h2H2,1H3,(H,7,9)
InChIKeyJCRCDLSWRMEYIR-UHFFFAOYSA-N
XLogP0.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The IUPAC name of 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one (CID 118330359) is 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one.
What is the SMILES notation for 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The canonical SMILES for 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one is Cc1nc2c(s1)C(=O)NC2.
What is the InChIKey of 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
The InChIKey is JCRCDLSWRMEYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-3-8-4-2-7-6(9)5(4)10-3/h2H2,1H3,(H,7,9).
What are the key properties of 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one?
2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one has a molecular weight of 154.19 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one is sourced from PubChem (CID 118330359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).