N-methyl-1,3-thiazolidin-2-imine;hydrobromide

C4H9BrN2S — CID 135487870

IUPACN-methyl-1,3-thiazolidin-2-imine;hydrobromide
SMILESBr.C/N=C1/NCCS1
InChIInChI=1S/C4H8N2S.BrH/c1-5-4-6-2-3-7-4;/h2-3H2,1H3,(H,5,6);1H
InChIKeyKEDIYVYQQLXKCT-UHFFFAOYSA-N
MW197.10 g/mol
LogP0.89
Rot. Bonds

About N-methyl-1,3-thiazolidin-2-imine;hydrobromide

N-methyl-1,3-thiazolidin-2-imine;hydrobromide (PubChem CID 135487870) has the molecular formula C4H9BrN2S and a molecular weight of 197.10 g/mol. Its IUPAC name is N-methyl-1,3-thiazolidin-2-imine;hydrobromide.

Molecular Properties

Compound NameN-methyl-1,3-thiazolidin-2-imine;hydrobromide
PubChem CID135487870
Molecular FormulaC4H9BrN2S
Molecular Weight197.10 g/mol
Exact Mass195.97
IUPAC NameN-methyl-1,3-thiazolidin-2-imine;hydrobromide
SMILESBr.C/N=C1/NCCS1
InChIInChI=1S/C4H8N2S.BrH/c1-5-4-6-2-3-7-4;/h2-3H2,1H3,(H,5,6);1H
InChIKeyKEDIYVYQQLXKCT-UHFFFAOYSA-N
XLogP0.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.10
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4,5-dihydro-1,3-thiazol-2-amine hydrochloride
CID 136109301
N-Butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 3847167
N-Ethyl-1,3-thiazolidin-2-imine
CID 202955
2-(Ethylthio)-4,5-dihydro-1H-imidazole
CID 81756
N,5-Dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135403375
2-Imidazoline, 2-((2-aminoethyl)thio)-, dihydrobromide
CID 20914
Pseudourea, 2-(2-aminoethyl)-1,3-diethyl-2-thio-, dihydrobromide
CID 74140
Pseudourea, 2-(2-aminoethyl)-1,3-dimethyl-2-thio-, dihydrobromide
CID 204960
1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
CID 216948
1,3-Propanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
CID 216950
2-Ethylthio-2-imidazoline hydroiodide
CID 24201677
N-Ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 253132

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-thiazolidin-2-imine;hydrobromide?
The IUPAC name of N-methyl-1,3-thiazolidin-2-imine;hydrobromide (CID 135487870) is N-methyl-1,3-thiazolidin-2-imine;hydrobromide.
What is the SMILES notation for N-methyl-1,3-thiazolidin-2-imine;hydrobromide?
The canonical SMILES for N-methyl-1,3-thiazolidin-2-imine;hydrobromide is Br.C/N=C1/NCCS1.
What is the InChIKey of N-methyl-1,3-thiazolidin-2-imine;hydrobromide?
The InChIKey is KEDIYVYQQLXKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S.BrH/c1-5-4-6-2-3-7-4;/h2-3H2,1H3,(H,5,6);1H.
What are the key properties of N-methyl-1,3-thiazolidin-2-imine;hydrobromide?
N-methyl-1,3-thiazolidin-2-imine;hydrobromide has a molecular weight of 197.10 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-thiazolidin-2-imine;hydrobromide is sourced from PubChem (CID 135487870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).