[amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium

C20H25N8S+ — CID 44576955

IUPAC[amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium
SMILESC/N=C(\N)N/N=C(/C)c1ccc2sc3ccc(/C(C)=N\N/C(N)=[NH+]/C)cc3c2c1
InChIInChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/p+1/b25-11-,26-12-
InChIKeyXCSSSGMWRCNFBK-RSKRUZOQSA-O
MW409.54 g/mol
LogP0.65
Rot. Bonds4

About [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium

[amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium (PubChem CID 44576955) has the molecular formula C20H25N8S+ and a molecular weight of 409.54 g/mol. Its IUPAC name is [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium.

Molecular Properties

Compound Name[amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium
PubChem CID44576955
Molecular FormulaC20H25N8S+
Molecular Weight409.54 g/mol
Exact Mass409.19
IUPAC Name[amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium
SMILESC/N=C(\N)N/N=C(/C)c1ccc2sc3ccc(/C(C)=N\N/C(N)=[NH+]/C)cc3c2c1
InChIInChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/p+1/b25-11-,26-12-
InChIKeyXCSSSGMWRCNFBK-RSKRUZOQSA-O
XLogP0.65
TPSA127.15 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 50.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium with MolForge

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Related Compounds

2-methyl-1-[(Z)-1-[8-[(E)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzofuran-2-yl]ethylideneamino]guanidine
CID 92529079
2-methyl-1-[(E)-1-phenanthren-3-ylethylideneamino]guanidine;hydrochloride
CID 54611026
[amino-[(2E)-2-[1-[8-[N-(2-azaniumylidenebutyl)-C-methylcarbonimidoyl]dibenzofuran-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium
CID 172950964
2-methyl-1-[(E)-1-[4-[(E)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]fluoranthen-8-yl]ethylideneamino]guanidine;hydrochloride
CID 54598626
1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride
CID 74961259
[1-(3-chloro-4-fluorophenyl)ethylideneamino]thiourea
CID 77059894
[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]thiourea
CID 139080292
1,2-bis[1-(4-tert-butylphenyl)ethylideneamino]guanidine
CID 123753114
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
[(Z)-1-dibenzofuran-2-ylethylideneamino]thiourea
CID 165411735
1,2-bis[1-(4-tert-butylphenyl)ethylideneamino]guanidine;hydrochloride
CID 140813770
manganese(2+);[(E)-1-naphthalen-2-ylethylideneamino]thiourea;dichloride
CID 10474226

Frequently Asked Questions

What is the IUPAC name of [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium?
The IUPAC name of [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium (CID 44576955) is [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium.
What is the SMILES notation for [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium?
The canonical SMILES for [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium is C/N=C(\N)N/N=C(/C)c1ccc2sc3ccc(/C(C)=N\N/C(N)=[NH+]/C)cc3c2c1.
What is the InChIKey of [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium?
The InChIKey is XCSSSGMWRCNFBK-RSKRUZOQSA-O. The full InChI is InChI=1S/C20H24N8S/c1-11(25-27-19(21)23-3)13-5-7-17-15(9-13)16-10-14(6-8-18(16)29-17)12(2)26-28-20(22)24-4/h5-10H,1-4H3,(H3,21,23,27)(H3,22,24,28)/p+1/b25-11-,26-12-.
What are the key properties of [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium?
[amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium has a molecular weight of 409.54 g/mol, XLogP of 0.65, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(2Z)-2-[1-[8-[(Z)-C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylidene]hydrazinyl]methylidene]-methylazanium is sourced from PubChem (CID 44576955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).