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

C16H28N6S3 — CID 3086771

IUPACN,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
SMILESCC1CN=C(NCCN(CCNC2=NCC(C)S2)C2=NCC(C)S2)S1
InChIInChI=1S/C16H28N6S3/c1-11-8-19-14(23-11)17-4-6-22(16-21-10-13(3)25-16)7-5-18-15-20-9-12(2)24-15/h11-13H,4-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJCIOZKFHAJMXGW-UHFFFAOYSA-N
MW400.64 g/mol
LogP1.94
Rot. Bonds6

About 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

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 (PubChem CID 3086771) has the molecular formula C16H28N6S3 and a molecular weight of 400.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID3086771
Molecular FormulaC16H28N6S3
Molecular Weight400.64 g/mol
Exact Mass400.15
IUPAC NameN,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
SMILESCC1CN=C(NCCN(CCNC2=NCC(C)S2)C2=NCC(C)S2)S1
InChIInChI=1S/C16H28N6S3/c1-11-8-19-14(23-11)17-4-6-22(16-21-10-13(3)25-16)7-5-18-15-20-9-12(2)24-15/h11-13H,4-10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJCIOZKFHAJMXGW-UHFFFAOYSA-N
XLogP1.94
TPSA64.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.64
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
2-Imidazoline,2'-(trimethylenedithio)di-, dihydrobromide
CID 54605061
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN=C(NCCN(CCNC2=NCC(C)S2)C2=NCC(C)S2)S1.
What is the InChIKey of 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?
The InChIKey is JCIOZKFHAJMXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6S3/c1-11-8-19-14(23-11)17-4-6-22(16-21-10-13(3)25-16)7-5-18-15-20-9-12(2)24-15/h11-13H,4-10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 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?
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 has a molecular weight of 400.64 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 3086771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).