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

C6H9BrN2S — CID 45480213

IUPAC2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide
SMILESBr.Cc1nc2c(s1)CNC2
InChIInChI=1S/C6H8N2S.BrH/c1-4-8-5-2-7-3-6(5)9-4;/h7H,2-3H2,1H3;1H
InChIKeyLUUICVJKBBNISU-UHFFFAOYSA-N
MW221.12 g/mol
LogP1.63
Rot. Bonds

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

2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide (PubChem CID 45480213) has the molecular formula C6H9BrN2S and a molecular weight of 221.12 g/mol. Its IUPAC name is 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide
PubChem CID45480213
Molecular FormulaC6H9BrN2S
Molecular Weight221.12 g/mol
Exact Mass219.97
IUPAC Name2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide
SMILESBr.Cc1nc2c(s1)CNC2
InChIInChI=1S/C6H8N2S.BrH/c1-4-8-5-2-7-3-6(5)9-4;/h7H,2-3H2,1H3;1H
InChIKeyLUUICVJKBBNISU-UHFFFAOYSA-N
XLogP1.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 51.63
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;hydrobromide?
The IUPAC name of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide (CID 45480213) is 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide.
What is the SMILES notation for 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide?
The canonical SMILES for 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide is Br.Cc1nc2c(s1)CNC2.
What is the InChIKey of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide?
The InChIKey is LUUICVJKBBNISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.BrH/c1-4-8-5-2-7-3-6(5)9-4;/h7H,2-3H2,1H3;1H.
What are the key properties of 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide?
2-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrobromide has a molecular weight of 221.12 g/mol, XLogP of 1.63, 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;hydrobromide is sourced from PubChem (CID 45480213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).