2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole

C6H8N2S — CID 15231191

IUPAC2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
SMILESCc1nc2c(s1)CNC2
InChIInChI=1S/C6H8N2S/c1-4-8-5-2-7-3-6(5)9-4/h7H,2-3H2,1H3
InChIKeyDQNDJDKFUJDVQW-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.05
Rot. Bonds

About 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole

2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole (PubChem CID 15231191) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
PubChem CID15231191
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
SMILESCc1nc2c(s1)CNC2
InChIInChI=1S/C6H8N2S/c1-4-8-5-2-7-3-6(5)9-4/h7H,2-3H2,1H3
InChIKeyDQNDJDKFUJDVQW-UHFFFAOYSA-N
XLogP1.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole (CID 15231191) is 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole is Cc1nc2c(s1)CNC2.
What is the InChIKey of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The InChIKey is DQNDJDKFUJDVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-4-8-5-2-7-3-6(5)9-4/h7H,2-3H2,1H3.
What are the key properties of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole has a molecular weight of 140.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 15231191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).