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

C10H18N4S2 — CID 3086769

IUPACN,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCC1CN=C(NCCNC2=NCC(C)S2)S1
InChIInChI=1S/C10H18N4S2/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)
InChIKeyMWQHXTYRZLMUEM-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.15
Rot. Bonds3

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

N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 3086769) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID3086769
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC NameN,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCC1CN=C(NCCNC2=NCC(C)S2)S1
InChIInChI=1S/C10H18N4S2/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)
InChIKeyMWQHXTYRZLMUEM-UHFFFAOYSA-N
XLogP1.15
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(Ethylthio)-4,5-dihydro-1H-imidazole
CID 81756
Ammonium, (2-(2-imidazolin-2-ylthio)ethyl)trimethyl-, bromide, monohydrobromide
CID 28900
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
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
2-Ethylthio-2-imidazoline hydroiodide
CID 24201677
diethylcarbamodithioic acid; 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole
CID 54607870
N,N'-bis(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 2968039
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propan-1-amine
CID 20917
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine
CID 21735
2-Imidazoline,2'-(trimethylenedithio)di-, dihydrobromide
CID 54605061

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?
The IUPAC name of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (CID 3086769) is N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine is CC1CN=C(NCCNC2=NCC(C)S2)S1.
What is the InChIKey of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is MWQHXTYRZLMUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/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).
What are the key properties of N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 258.42 g/mol, XLogP of 1.15, 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 is sourced from PubChem (CID 3086769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).