3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine

C9H16N4S2 — CID 4135361

IUPAC3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine
SMILESC/N=C1\SCCN1CCSC1=NCCN1
InChIInChI=1S/C9H16N4S2/c1-10-9-13(5-7-15-9)4-6-14-8-11-2-3-12-8/h2-7H2,1H3,(H,11,12)/b10-9-
InChIKeyYUDALEWVZXAYSK-KTKRTIGZSA-N
MW244.39 g/mol
LogP0.71
Rot. Bonds3

About 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine

3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine (PubChem CID 4135361) has the molecular formula C9H16N4S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine
PubChem CID4135361
Molecular FormulaC9H16N4S2
Molecular Weight244.39 g/mol
Exact Mass244.08
IUPAC Name3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine
SMILESC/N=C1\SCCN1CCSC1=NCCN1
InChIInChI=1S/C9H16N4S2/c1-10-9-13(5-7-15-9)4-6-14-8-11-2-3-12-8/h2-7H2,1H3,(H,11,12)/b10-9-
InChIKeyYUDALEWVZXAYSK-KTKRTIGZSA-N
XLogP0.71
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Imidazoline, 2-((2-(diethylamino)ethyl)thio)-, dihydrochloride
CID 28297
Ammonium, (2-((4,5-dihydro-1H-imidazol-2-yl)thio)ethyl)triethyl)-, bromide, monohydrobromide
CID 36842
N,N'-(Ethane-1,2-diyl)bis(5-methyl-1,3-thiazolidin-2-imine)--hydrogen chloride (1/2)
CID 3086768
1,2-Ethanediamine, N,N'-bis(4,5-dihydro-5-methyl-2-thiazolyl)-N-(2-((4,5-dihydro-5-methyl-2-thiazolyl)amino)ethyl)-, trihydrochloride, trihydrate
CID 3086770
diethylcarbamodithioic acid; 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole
CID 54607870
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
CID 28298
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-trimethylazanium
CID 28901
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-triethylazanium
CID 36843
2-{[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 410052
N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 3086769
N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]ethane-1,2-diamine
CID 3086771
2-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propylsulfanyl]-4,5-dihydro-1H-imidazole
CID 409193

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine (CID 4135361) is 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine is C/N=C1\SCCN1CCSC1=NCCN1.
What is the InChIKey of 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine?
The InChIKey is YUDALEWVZXAYSK-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H16N4S2/c1-10-9-13(5-7-15-9)4-6-14-8-11-2-3-12-8/h2-7H2,1H3,(H,11,12)/b10-9-.
What are the key properties of 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine?
3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine has a molecular weight of 244.39 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-N-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 4135361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).