1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine

C75H123N45OS8 — CID 159495729

IUPAC1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccc(C)s1.C/N=C(/N=C(N)N)Nc1ccc(C)s1.C/N=C(\N)N=C(N)N(C)c1ccc(C)s1.C/N=C(\N)NC(N)=Nc1ccc(C)s1.Cc1ccc(N=C(N)N=C(N)N(C)C)o1.Cc1ccc(N=C(N)N=C(N)N)s1.[H]/N=C(\N)N(C)/C(=N\[H])N(C)c1ccc(C)s1.[H]/N=C(\N)N(C)C(N)=Nc1ccc(C)s1.[H]/N=C(\N=C(N)N)N(C)c1ccc(C)s1
InChIInChI=1S/C9H15N5O.3C9H15N5S.4C8H13N5S.C7H11N5S/c1-6-4-5-7(15-6)12-8(10)13-9(11)14(2)3;1-6-4-5-7(15-6)14(3)9(11)13-8(10)12-2;1-6-4-5-7(15-6)13(2)9(12)14(3)8(10)11;1-6-4-5-7(15-6)14(3)9(12-2)13-8(10)11;1-5-3-4-6(14-5)12-8(10)13-7(9)11-2;1-5-3-4-6(14-5)13(2)8(11)12-7(9)10;1-5-3-4-6(14-5)12-8(11)13(2)7(9)10;1-5-3-4-6(14-5)12-8(11-2)13-7(9)10;1-4-2-3-5(13-4)11-7(10)12-6(8)9/h2*4-5H,1-3H3,(H4,10,11,12,13);4-5,12H,1-3H3,(H3,10,11);4-5H,1-3H3,(H4,10,11,12,13);3-4H,1-2H3,(H5,9,10,11,12,13);3-4H,1-2H3,(H5,9,10,11,12);3-4H,1-2H3,(H3,9,10)(H2,11,12);3-4H,1-2H3,(H5,9,10,11,12,13);2-3H,1H3,(H6,8,9,10,11,12)/b;;12-9-;;;;;;
InChIKeyLYTHTRYGHBJNKV-KOHZEJKVSA-N
MW1927.66 g/mol
LogP6.24
Rot. Bonds9

About 1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine

1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine (PubChem CID 159495729) has the molecular formula C75H123N45OS8 and a molecular weight of 1927.66 g/mol. Its IUPAC name is 1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine
PubChem CID159495729
Molecular FormulaC75H123N45OS8
Molecular Weight1927.66 g/mol
Exact Mass1925.87
IUPAC Name1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccc(C)s1.C/N=C(/N=C(N)N)Nc1ccc(C)s1.C/N=C(\N)N=C(N)N(C)c1ccc(C)s1.C/N=C(\N)NC(N)=Nc1ccc(C)s1.Cc1ccc(N=C(N)N=C(N)N(C)C)o1.Cc1ccc(N=C(N)N=C(N)N)s1.[H]/N=C(\N)N(C)/C(=N\[H])N(C)c1ccc(C)s1.[H]/N=C(\N)N(C)C(N)=Nc1ccc(C)s1.[H]/N=C(\N=C(N)N)N(C)c1ccc(C)s1
InChIInChI=1S/C9H15N5O.3C9H15N5S.4C8H13N5S.C7H11N5S/c1-6-4-5-7(15-6)12-8(10)13-9(11)14(2)3;1-6-4-5-7(15-6)14(3)9(11)13-8(10)12-2;1-6-4-5-7(15-6)13(2)9(12)14(3)8(10)11;1-6-4-5-7(15-6)14(3)9(12-2)13-8(10)11;1-5-3-4-6(14-5)12-8(10)13-7(9)11-2;1-5-3-4-6(14-5)13(2)8(11)12-7(9)10;1-5-3-4-6(14-5)12-8(11)13(2)7(9)10;1-5-3-4-6(14-5)12-8(11-2)13-7(9)10;1-4-2-3-5(13-4)11-7(10)12-6(8)9/h2*4-5H,1-3H3,(H4,10,11,12,13);4-5,12H,1-3H3,(H3,10,11);4-5H,1-3H3,(H4,10,11,12,13);3-4H,1-2H3,(H5,9,10,11,12,13);3-4H,1-2H3,(H5,9,10,11,12);3-4H,1-2H3,(H3,9,10)(H2,11,12);3-4H,1-2H3,(H5,9,10,11,12,13);2-3H,1H3,(H6,8,9,10,11,12)/b;;12-9-;;;;;;
InChIKeyLYTHTRYGHBJNKV-KOHZEJKVSA-N
XLogP6.24
TPSA796.68 Ų
H-Bond Donors24
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001927.66
LogP ≤ 56.24
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-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine?
The IUPAC name of 1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine (CID 159495729) is 1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine?
The canonical SMILES for 1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine is C/N=C(/N=C(N)N)N(C)c1ccc(C)s1.C/N=C(/N=C(N)N)Nc1ccc(C)s1.C/N=C(\N)N=C(N)N(C)c1ccc(C)s1.C/N=C(\N)NC(N)=Nc1ccc(C)s1.Cc1ccc(N=C(N)N=C(N)N(C)C)o1.Cc1ccc(N=C(N)N=C(N)N)s1.[H]/N=C(\N)N(C)/C(=N\[H])N(C)c1ccc(C)s1.[H]/N=C(\N)N(C)C(N)=Nc1ccc(C)s1.[H]/N=C(\N=C(N)N)N(C)c1ccc(C)s1.
What is the InChIKey of 1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine?
The InChIKey is LYTHTRYGHBJNKV-KOHZEJKVSA-N. The full InChI is InChI=1S/C9H15N5O.3C9H15N5S.4C8H13N5S.C7H11N5S/c1-6-4-5-7(15-6)12-8(10)13-9(11)14(2)3;1-6-4-5-7(15-6)14(3)9(11)13-8(10)12-2;1-6-4-5-7(15-6)13(2)9(12)14(3)8(10)11;1-6-4-5-7(15-6)14(3)9(12-2)13-8(10)11;1-5-3-4-6(14-5)12-8(10)13-7(9)11-2;1-5-3-4-6(14-5)13(2)8(11)12-7(9)10;1-5-3-4-6(14-5)12-8(11)13(2)7(9)10;1-5-3-4-6(14-5)12-8(11-2)13-7(9)10;1-4-2-3-5(13-4)11-7(10)12-6(8)9/h2*4-5H,1-3H3,(H4,10,11,12,13);4-5,12H,1-3H3,(H3,10,11);4-5H,1-3H3,(H4,10,11,12,13);3-4H,1-2H3,(H5,9,10,11,12,13);3-4H,1-2H3,(H5,9,10,11,12);3-4H,1-2H3,(H3,9,10)(H2,11,12);3-4H,1-2H3,(H5,9,10,11,12,13);2-3H,1H3,(H6,8,9,10,11,12)/b;;12-9-;;;;;;.
What are the key properties of 1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine?
1-carbamimidoyl-1,3-dimethyl-3-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine has a molecular weight of 1927.66 g/mol, XLogP of 6.24, 9 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-(5-methylthiophen-2-yl)guanidine;1-carbamimidoyl-1-methyl-2-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-methyl-3-(5-methylthiophen-2-yl)guanidine;3-(diaminomethylidene)-1-methyl-1-(5-methylthiophen-2-yl)guanidine;1-(diaminomethylidene)-2-(5-methylthiophen-2-yl)guanidine;1,1-dimethyl-2-[N'-(5-methylfuran-2-yl)carbamimidoyl]guanidine;1-(N'-methylcarbamimidoyl)-2-(5-methylthiophen-2-yl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(5-methylthiophen-2-yl)guanidine is sourced from PubChem (CID 159495729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).