N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine

C15H24N6S4 — CID 57054764

IUPACN-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine
SMILESCN(C)Cc1nc(CSCCNc2nsnc2N2CCSCC2)cs1
InChIInChI=1S/C15H24N6S4/c1-20(2)9-13-17-12(11-24-13)10-23-6-3-16-14-15(19-25-18-14)21-4-7-22-8-5-21/h11H,3-10H2,1-2H3,(H,16,18)
InChIKeyQBWAWXXSTHIMNK-UHFFFAOYSA-N
MW416.67 g/mol
LogP2.95
Rot. Bonds9

About N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine

N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine (PubChem CID 57054764) has the molecular formula C15H24N6S4 and a molecular weight of 416.67 g/mol. Its IUPAC name is N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine
PubChem CID57054764
Molecular FormulaC15H24N6S4
Molecular Weight416.67 g/mol
Exact Mass416.09
IUPAC NameN-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine
SMILESCN(C)Cc1nc(CSCCNc2nsnc2N2CCSCC2)cs1
InChIInChI=1S/C15H24N6S4/c1-20(2)9-13-17-12(11-24-13)10-23-6-3-16-14-15(19-25-18-14)21-4-7-22-8-5-21/h11H,3-10H2,1-2H3,(H,16,18)
InChIKeyQBWAWXXSTHIMNK-UHFFFAOYSA-N
XLogP2.95
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.67
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethylamino]-1,2,5-thiadiazol-3-one
CID 56981196
1-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethylamino]-2-nitroethenol
CID 129318443
1-[4-[4-[2-[[5-[2-(dimethylamino)ethyl]furan-2-yl]methylsulfanyl]ethylamino]-1,2,5-thiadiazol-3-yl]piperazin-1-yl]ethanone
CID 57097873
(E)-1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;sulfane
CID 173155448
methyl 3-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]propanimidate
CID 54572221
1-N'-cyclopropyl-1-N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine
CID 70363512
1-N'-[3-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]propyl]-1-N-methyl-2-nitroethene-1,1-diamine
CID 70363301
1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
CID 122628208
[N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]carbamimidoyl]urea
CID 70552640
1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-(2-methoxyethyl)-2-nitroethene-1,1-diamine
CID 70482832
[N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]carbamimidoyl]urea;dihydrochloride
CID 70552639
N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-nitropropanimidamide
CID 57309109

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine (CID 57054764) is N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine is CN(C)Cc1nc(CSCCNc2nsnc2N2CCSCC2)cs1.
What is the InChIKey of N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine?
The InChIKey is QBWAWXXSTHIMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6S4/c1-20(2)9-13-17-12(11-24-13)10-23-6-3-16-14-15(19-25-18-14)21-4-7-22-8-5-21/h11H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine?
N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine has a molecular weight of 416.67 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-4-thiomorpholin-4-yl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 57054764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).