1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine

C46H74N30S6 — CID 158775279

IUPAC1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccsc1.C/N=C(\N)N=C(N)N(C)c1ccsc1.C/N=C(\N)N=C(N)Nc1ccsc1.CN(C)C(N)=N/C(N)=N/c1ccsc1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccsc1.[H]/N=C(\N)N(C)/C(N)=N/c1ccsc1
InChIInChI=1S/4C8H13N5S.2C7H11N5S/c1-13(2)8(10)12-7(9)11-6-3-4-14-5-6;1-11-7(9)12-8(10)13(2)6-3-4-14-5-6;1-12(6-3-4-14-5-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-3-4-14-5-6;1-10-6(8)12-7(9)11-5-2-3-13-4-5;1-12(6(8)9)7(10)11-5-2-3-13-4-5/h2*3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H3,8,9)(H2,10,11)/b;;11-8-;;;
InChIKeyIQJYIQWRXRNLHV-CKIUXCJLSA-N
MW1239.71 g/mol
LogP3.34
Rot. Bonds6

About 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine

1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine (PubChem CID 158775279) has the molecular formula C46H74N30S6 and a molecular weight of 1239.71 g/mol. Its IUPAC name is 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine.

Molecular Properties

Compound Name1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine
PubChem CID158775279
Molecular FormulaC46H74N30S6
Molecular Weight1239.71 g/mol
Exact Mass1238.50
IUPAC Name1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine
SMILESC/N=C(/N=C(N)N)N(C)c1ccsc1.C/N=C(\N)N=C(N)N(C)c1ccsc1.C/N=C(\N)N=C(N)Nc1ccsc1.CN(C)C(N)=N/C(N)=N/c1ccsc1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccsc1.[H]/N=C(\N)N(C)/C(N)=N/c1ccsc1
InChIInChI=1S/4C8H13N5S.2C7H11N5S/c1-13(2)8(10)12-7(9)11-6-3-4-14-5-6;1-11-7(9)12-8(10)13(2)6-3-4-14-5-6;1-12(6-3-4-14-5-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-3-4-14-5-6;1-10-6(8)12-7(9)11-5-2-3-13-4-5;1-12(6(8)9)7(10)11-5-2-3-13-4-5/h2*3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H3,8,9)(H2,10,11)/b;;11-8-;;;
InChIKeyIQJYIQWRXRNLHV-CKIUXCJLSA-N
XLogP3.34
TPSA500.48 Ų
H-Bond Donors15
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.71
LogP ≤ 53.34
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine?
The IUPAC name of 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine (CID 158775279) is 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine.
What is the SMILES notation for 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine?
The canonical SMILES for 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine is C/N=C(/N=C(N)N)N(C)c1ccsc1.C/N=C(\N)N=C(N)N(C)c1ccsc1.C/N=C(\N)N=C(N)Nc1ccsc1.CN(C)C(N)=N/C(N)=N/c1ccsc1.[H]/N=C(\N(C)/C(N)=N/[H])N(C)c1ccsc1.[H]/N=C(\N)N(C)/C(N)=N/c1ccsc1.
What is the InChIKey of 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine?
The InChIKey is IQJYIQWRXRNLHV-CKIUXCJLSA-N. The full InChI is InChI=1S/4C8H13N5S.2C7H11N5S/c1-13(2)8(10)12-7(9)11-6-3-4-14-5-6;1-11-7(9)12-8(10)13(2)6-3-4-14-5-6;1-12(6-3-4-14-5-6)8(11)13(2)7(9)10;1-11-8(12-7(9)10)13(2)6-3-4-14-5-6;1-10-6(8)12-7(9)11-5-2-3-13-4-5;1-12(6(8)9)7(10)11-5-2-3-13-4-5/h2*3-5H,1-2H3,(H4,9,10,11,12);3-5,11H,1-2H3,(H3,9,10);3-5H,1-2H3,(H4,9,10,11,12);2-4H,1H3,(H5,8,9,10,11,12);2-4H,1H3,(H3,8,9)(H2,10,11)/b;;11-8-;;;.
What are the key properties of 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine?
1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine has a molecular weight of 1239.71 g/mol, XLogP of 3.34, 6 rotatable bonds, 15 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(thiophen-3-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-thiophen-3-ylguanidine;1-carbamimidoyl-1-methyl-2-thiophen-3-ylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-thiophen-3-ylguanidine;1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-3-ylguanidine is sourced from PubChem (CID 158775279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).