5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide

C8H15BrN2S — CID 17365713

IUPAC5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide
SMILESCC1CNC(=[N+]2CCCC2)S1.[Br-]
InChIInChI=1S/C8H14N2S.BrH/c1-7-6-9-8(11-7)10-4-2-3-5-10;/h7H,2-6H2,1H3;1H
InChIKeyYBTXBHPEMXILKJ-UHFFFAOYSA-N
MW251.19 g/mol
LogP-2.12
Rot. Bonds

About 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide

5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide (PubChem CID 17365713) has the molecular formula C8H15BrN2S and a molecular weight of 251.19 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide
PubChem CID17365713
Molecular FormulaC8H15BrN2S
Molecular Weight251.19 g/mol
Exact Mass250.01
IUPAC Name5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide
SMILESCC1CNC(=[N+]2CCCC2)S1.[Br-]
InChIInChI=1S/C8H14N2S.BrH/c1-7-6-9-8(11-7)10-4-2-3-5-10;/h7H,2-6H2,1H3;1H
InChIKeyYBTXBHPEMXILKJ-UHFFFAOYSA-N
XLogP-2.12
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide
CID 17389266
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 13018884
2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169004918
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169005015
2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169005186
5-(Bromomethyl)-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine
CID 3438380
5-Methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine
CID 4147027
N-[propylsulfanyl(pyrrolidin-1-ium-1-ylidene)methyl]ethanamine
CID 4301880
N-[ethylsulfanyl(pyrrolidin-1-ium-1-ylidene)methyl]propan-1-amine
CID 5067694
5-(Bromomethyl)-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide
CID 17385783
N-[(1-ethylpyrrolidin-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 60855029
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 60855032

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide?
The IUPAC name of 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide (CID 17365713) is 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide.
What is the SMILES notation for 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide?
The canonical SMILES for 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide is CC1CNC(=[N+]2CCCC2)S1.[Br-].
What is the InChIKey of 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide?
The InChIKey is YBTXBHPEMXILKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S.BrH/c1-7-6-9-8(11-7)10-4-2-3-5-10;/h7H,2-6H2,1H3;1H.
What are the key properties of 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide?
5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide has a molecular weight of 251.19 g/mol, XLogP of -2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide is sourced from PubChem (CID 17365713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).