C75H123N45OS8 — CID 160992279
1-carbamimidoyl-1,3-dimethyl-3-(thiophen-2-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1-methyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-(thiophen-2-ylmethyl)guanidine;2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-(N'-methylcarbamimidoyl)-2-(thiophen-2-ylmethyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-2-ylmethyl)guanidine (PubChem CID 160992279) has the molecular formula C75H123N45OS8 and a molecular weight of 1927.66 g/mol. Its IUPAC name is 1-carbamimidoyl-1,3-dimethyl-3-(thiophen-2-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1-methyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-(thiophen-2-ylmethyl)guanidine;2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-(N'-methylcarbamimidoyl)-2-(thiophen-2-ylmethyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-2-ylmethyl)guanidine.
| Compound Name | 1-carbamimidoyl-1,3-dimethyl-3-(thiophen-2-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1-methyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-(thiophen-2-ylmethyl)guanidine;2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-(N'-methylcarbamimidoyl)-2-(thiophen-2-ylmethyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-2-ylmethyl)guanidine |
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| PubChem CID | 160992279 |
| Molecular Formula | C75H123N45OS8 |
| Molecular Weight | 1927.66 g/mol |
| Exact Mass | 1925.87 |
| IUPAC Name | 1-carbamimidoyl-1,3-dimethyl-3-(thiophen-2-ylmethyl)guanidine;1-carbamimidoyl-1-methyl-2-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;3-(diaminomethylidene)-1-methyl-1-(thiophen-2-ylmethyl)guanidine;1-(diaminomethylidene)-2-(thiophen-2-ylmethyl)guanidine;2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;1-(N'-methylcarbamimidoyl)-2-(thiophen-2-ylmethyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(thiophen-2-ylmethyl)guanidine |
| SMILES | C/N=C(/N=C(N)N)N(C)Cc1cccs1.C/N=C(/N=C(N)N)NCc1cccs1.C/N=C(\N)N/C(N)=N/Cc1cccs1.C/N=C(\N)N=C(N)N(C)Cc1cccs1.CN(C)C(N)=N/C(N)=N/Cc1ccco1.NC(N)=N/C(N)=N/Cc1cccs1.[H]/N=C(/N(C)Cc1cccs1)N(C)/C(N)=N/[H].[H]/N=C(/N=C(N)N)N(C)Cc1cccs1.[H]/N=C(\N)N(C)/C(N)=N/Cc1cccs1 |
| InChI | InChI=1S/C9H15N5O.3C9H15N5S.4C8H13N5S.C7H11N5S/c1-14(2)9(11)13-8(10)12-6-7-4-3-5-15-7;1-12-8(10)13-9(11)14(2)6-7-4-3-5-15-7;1-13(6-7-4-3-5-15-7)9(12)14(2)8(10)11;1-12-9(13-8(10)11)14(2)6-7-4-3-5-15-7;1-11-7(9)13-8(10)12-5-6-3-2-4-14-6;1-13(8(11)12-7(9)10)5-6-3-2-4-14-6;1-13(7(9)10)8(11)12-5-6-3-2-4-14-6;1-11-8(13-7(9)10)12-5-6-3-2-4-14-6;8-6(9)12-7(10)11-4-5-2-1-3-13-5/h2*3-5H,6H2,1-2H3,(H4,10,11,12,13);3-5,12H,6H2,1-2H3,(H3,10,11);3-5H,6H2,1-2H3,(H4,10,11,12,13);2-4H,5H2,1H3,(H5,9,10,11,12,13);2-4H,5H2,1H3,(H5,9,10,11,12);2-4H,5H2,1H3,(H3,9,10)(H2,11,12);2-4H,5H2,1H3,(H5,9,10,11,12,13);1-3H,4H2,(H6,8,9,10,11,12)/b;;12-9-;;;;;; |
| InChIKey | TUUFBVURCFUEMR-KOHZEJKVSA-N |
| XLogP | 2.59 |
| TPSA | 796.68 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 129 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1927.66 |
| LogP ≤ 5 | 2.59 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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