N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride

C10H20Cl2N4S2 — CID 3086768

IUPACN,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride
SMILESCC1CN=C(NCCNC2=NCC(C)S2)S1.Cl.Cl
InChIInChI=1S/C10H18N4S2.2ClH/c1-7-5-13-9(15-7)11-3-4-12-10-14-6-8(2)16-10;;/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14);2*1H
InChIKeyFZZYRLGZJJTFIM-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.99
Rot. Bonds3

About N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride

N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 3086768) has the molecular formula C10H20Cl2N4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride
PubChem CID3086768
Molecular FormulaC10H20Cl2N4S2
Molecular Weight331.34 g/mol
Exact Mass330.05
IUPAC NameN,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride
SMILESCC1CN=C(NCCNC2=NCC(C)S2)S1.Cl.Cl
InChIInChI=1S/C10H18N4S2.2ClH/c1-7-5-13-9(15-7)11-3-4-12-10-14-6-8(2)16-10;;/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14);2*1H
InChIKeyFZZYRLGZJJTFIM-UHFFFAOYSA-N
XLogP1.99
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanamine, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N,N-dimethyl-, dihydrochloride
CID 27736
2-Imidazoline, 2-((2-(diethylamino)ethyl)thio)-, dihydrochloride
CID 28297
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
2,2'-(Butane-1,4-diyldisulfanediyl)di(4,5-dihydro-1H-imidazole)--hydrogen bromide (1/1)
CID 54602983
1,4-Bis(2-imidazolin-2-thio)butane dihydrobromide
CID 45049569
N,N'-bis(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 2968039
2-Imidazoline,2'-(trimethylenedithio)di-, dihydrobromide
CID 54605061
2-propan-2-ylsulfanyl-4,5-dihydro-1H-imidazole
CID 46707387
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-trimethylazanium
CID 28901
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

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride (CID 3086768) is N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride is CC1CN=C(NCCNC2=NCC(C)S2)S1.Cl.Cl.
What is the InChIKey of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride?
The InChIKey is FZZYRLGZJJTFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2.2ClH/c1-7-5-13-9(15-7)11-3-4-12-10-14-6-8(2)16-10;;/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14);2*1H.
What are the key properties of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride?
N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 331.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 3086768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).