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

C4H8N2S — CID 135477871

IUPACN-methyl-1,3-thiazolidin-2-imine
SMILESC/N=C1/NCCS1
InChIInChI=1S/C4H8N2S/c1-5-4-6-2-3-7-4/h2-3H2,1H3,(H,5,6)
InChIKeyKOFXNMVSVWDBKN-UHFFFAOYSA-N
MW116.19 g/mol
LogP0.31
Rot. Bonds

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

N-methyl-1,3-thiazolidin-2-imine (PubChem CID 135477871) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is N-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-methyl-1,3-thiazolidin-2-imine
PubChem CID135477871
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC NameN-methyl-1,3-thiazolidin-2-imine
SMILESC/N=C1/NCCS1
InChIInChI=1S/C4H8N2S/c1-5-4-6-2-3-7-4/h2-3H2,1H3,(H,5,6)
InChIKeyKOFXNMVSVWDBKN-UHFFFAOYSA-N
XLogP0.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.31
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
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
2-Thiazolamine, 4,5-dihydro-N-methyl-, monohydrobromide
CID 135487870
2-Ethylthio-2-imidazoline hydroiodide
CID 24201677
1,3-Diethyl-2-methylthioisourea
CID 2775148
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?
The IUPAC name of N-methyl-1,3-thiazolidin-2-imine (CID 135477871) is N-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-methyl-1,3-thiazolidin-2-imine is C/N=C1/NCCS1.
What is the InChIKey of N-methyl-1,3-thiazolidin-2-imine?
The InChIKey is KOFXNMVSVWDBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S/c1-5-4-6-2-3-7-4/h2-3H2,1H3,(H,5,6).
What are the key properties of N-methyl-1,3-thiazolidin-2-imine?
N-methyl-1,3-thiazolidin-2-imine has a molecular weight of 116.19 g/mol, XLogP of 0.31, 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 is sourced from PubChem (CID 135477871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).