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

C6H10Br2N2S — CID 126802098

IUPAC2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide
SMILESBr.Br.Cc1nc2c(s1)CNC2
InChIInChI=1S/C6H8N2S.2BrH/c1-4-8-5-2-7-3-6(5)9-4;;/h7H,2-3H2,1H3;2*1H
InChIKeyPKNNIKRXFXZOIT-UHFFFAOYSA-N
MW302.04 g/mol
LogP2.21
Rot. Bonds

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

2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide (PubChem CID 126802098) has the molecular formula C6H10Br2N2S and a molecular weight of 302.04 g/mol. Its IUPAC name is 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide.

Molecular Properties

Compound Name2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide
PubChem CID126802098
Molecular FormulaC6H10Br2N2S
Molecular Weight302.04 g/mol
Exact Mass299.89
IUPAC Name2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide
SMILESBr.Br.Cc1nc2c(s1)CNC2
InChIInChI=1S/C6H8N2S.2BrH/c1-4-8-5-2-7-3-6(5)9-4;;/h7H,2-3H2,1H3;2*1H
InChIKeyPKNNIKRXFXZOIT-UHFFFAOYSA-N
XLogP2.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.04
LogP ≤ 52.21
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;dihydrobromide?
The IUPAC name of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide (CID 126802098) is 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide.
What is the SMILES notation for 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide?
The canonical SMILES for 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide is Br.Br.Cc1nc2c(s1)CNC2.
What is the InChIKey of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide?
The InChIKey is PKNNIKRXFXZOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.2BrH/c1-4-8-5-2-7-3-6(5)9-4;;/h7H,2-3H2,1H3;2*1H.
What are the key properties of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide?
2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;dihydrobromide has a molecular weight of 302.04 g/mol, XLogP of 2.21, 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;dihydrobromide is sourced from PubChem (CID 126802098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).