N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine

C12H20N8O2S3 — CID 135849646

IUPACN-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine
SMILESC/N=C1\NS(=O)(=O)N\C1=N\CCSCc1csc(NC2NCCN2)n1
InChIInChI=1S/C12H20N8O2S3/c1-13-9-10(20-25(21,22)19-9)14-4-5-23-6-8-7-24-12(17-8)18-11-15-2-3-16-11/h7,11,15-16H,2-6H2,1H3,(H,13,19)(H,14,20)(H,17,18)
InChIKeyHOFOUXQDMIQLQQ-UHFFFAOYSA-N
MW404.55 g/mol
LogP-0.87
Rot. Bonds7

About N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine

N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 135849646) has the molecular formula C12H20N8O2S3 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID135849646
Molecular FormulaC12H20N8O2S3
Molecular Weight404.55 g/mol
Exact Mass404.09
IUPAC NameN-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine
SMILESC/N=C1\NS(=O)(=O)N\C1=N\CCSCc1csc(NC2NCCN2)n1
InChIInChI=1S/C12H20N8O2S3/c1-13-9-10(20-25(21,22)19-9)14-4-5-23-6-8-7-24-12(17-8)18-11-15-2-3-16-11/h7,11,15-16H,2-6H2,1H3,(H,13,19)(H,14,20)(H,17,18)
InChIKeyHOFOUXQDMIQLQQ-UHFFFAOYSA-N
XLogP-0.87
TPSA131.90 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 5-0.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]ethyl]-4-N-methyl-1,1-dioxo-1,2,5-thiadiazolidine-3,4-diimine
CID 135849574
2-[4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine
CID 135849588
4-N-methyl-3-N-[2-(1,2-oxazol-3-ylmethylsulfanyl)ethyl]-1,1-dioxo-1,2,5-thiadiazolidine-3,4-diimine
CID 135709800
4-N-methyl-3-N-[2-[(3-methyl-1,2-thiazol-4-yl)methylsulfanyl]ethyl]-1,1-dioxo-1,2,5-thiadiazolidine-3,4-diimine
CID 135849638
3-N-[2-[(1,5-dimethylimidazol-4-yl)methylsulfanyl]ethyl]-4-N-methyl-1,1-dioxo-1,2,5-thiadiazolidine-3,4-diimine
CID 135702422
4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,2,5-thiadiazol-3-one
CID 135849573
4-N-methyl-3-N-[2-[(3-methyl-2-pyridinyl)methylsulfanyl]ethyl]-1,1-dioxo-1,2,5-thiadiazolidine-3,4-diimine
CID 135849632
N-[4-(3-aminobutylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 66233966
1-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
CID 13102900
4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905
2-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-(methylsulfamoyl)guanidine
CID 70458329
4-[2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methylsulfanyl]ethylimino]-1-oxido-1,2,5-thiadiazol-1-ium-3-amine
CID 173393918

Frequently Asked Questions

What is the IUPAC name of N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine (CID 135849646) is N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine is C/N=C1\NS(=O)(=O)N\C1=N\CCSCc1csc(NC2NCCN2)n1.
What is the InChIKey of N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is HOFOUXQDMIQLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8O2S3/c1-13-9-10(20-25(21,22)19-9)14-4-5-23-6-8-7-24-12(17-8)18-11-15-2-3-16-11/h7,11,15-16H,2-6H2,1H3,(H,13,19)(H,14,20)(H,17,18).
What are the key properties of N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine?
N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 404.55 g/mol, XLogP of -0.87, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazolidin-2-yl-4-[2-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]ethylsulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 135849646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).