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

C75H123N45OS8 — CID 160992279

IUPAC1-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
SMILESC/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
InChIInChI=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-;;;;;;
InChIKeyTUUFBVURCFUEMR-KOHZEJKVSA-N
MW1927.66 g/mol
LogP2.59
Rot. Bonds18

About 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

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.

Molecular Properties

Compound Name1-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 CID160992279
Molecular FormulaC75H123N45OS8
Molecular Weight1927.66 g/mol
Exact Mass1925.87
IUPAC Name1-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
SMILESC/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
InChIInChI=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-;;;;;;
InChIKeyTUUFBVURCFUEMR-KOHZEJKVSA-N
XLogP2.59
TPSA796.68 Ų
H-Bond Donors24
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001927.66
LogP ≤ 52.59
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 160992279) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is TUUFBVURCFUEMR-KOHZEJKVSA-N. The full InChI is 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-;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 1927.66 g/mol, XLogP of 2.59, 18 rotatable bonds, 24 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160992279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).