1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

C19H30N10S2 — CID 174007469

IUPAC1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(\N)N=C(N)N(C)CCc1cc(C/N=C(\N)N/C(N)=N/CCc2cccs2)cs1
InChIInChI=1S/C19H30N10S2/c1-24-16(20)28-19(23)29(2)8-6-15-10-13(12-31-15)11-26-18(22)27-17(21)25-7-5-14-4-3-9-30-14/h3-4,9-10,12H,5-8,11H2,1-2H3,(H4,20,23,24,28)(H5,21,22,25,26,27)
InChIKeyFVYCKYWTULEBGR-UHFFFAOYSA-N
MW462.65 g/mol
LogP0.50
Rot. Bonds8

About 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (PubChem CID 174007469) has the molecular formula C19H30N10S2 and a molecular weight of 462.65 g/mol. Its IUPAC name is 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
PubChem CID174007469
Molecular FormulaC19H30N10S2
Molecular Weight462.65 g/mol
Exact Mass462.21
IUPAC Name1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(\N)N=C(N)N(C)CCc1cc(C/N=C(\N)N/C(N)=N/CCc2cccs2)cs1
InChIInChI=1S/C19H30N10S2/c1-24-16(20)28-19(23)29(2)8-6-15-10-13(12-31-15)11-26-18(22)27-17(21)25-7-5-14-4-3-9-30-14/h3-4,9-10,12H,5-8,11H2,1-2H3,(H4,20,23,24,28)(H5,21,22,25,26,27)
InChIKeyFVYCKYWTULEBGR-UHFFFAOYSA-N
XLogP0.50
TPSA168.79 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.65
LogP ≤ 50.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine with MolForge

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Related Compounds

1-methyl-2-(N'-methylcarbamimidoyl)-1-(2-phenylethyl)guanidine
CID 123140096
1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030708
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-1-methyl-2-(2-thiophen-2-ylethyl)guanidine
CID 111241383
3-amino-2-(2-methoxyethyl)-1-methyl-1-(2-thiophen-2-ylethyl)guanidine
CID 116515816
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111047898
2-[7-(dimethylamino)heptyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111084900
1-[2-(3-methoxy-4-methylphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111813830
3-ethyl-1,1-dimethyl-2-(2-thiophen-2-ylethyl)guanidine
CID 111350272
1-butyl-3-ethyl-1-methyl-2-(2-thiophen-2-ylethyl)guanidine
CID 111159672
methyl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111063902
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682
2-[[3-(methoxymethyl)phenyl]methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111054028

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The IUPAC name of 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (CID 174007469) is 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.
What is the SMILES notation for 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The canonical SMILES for 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is C/N=C(\N)N=C(N)N(C)CCc1cc(C/N=C(\N)N/C(N)=N/CCc2cccs2)cs1.
What is the InChIKey of 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The InChIKey is FVYCKYWTULEBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N10S2/c1-24-16(20)28-19(23)29(2)8-6-15-10-13(12-31-15)11-26-18(22)27-17(21)25-7-5-14-4-3-9-30-14/h3-4,9-10,12H,5-8,11H2,1-2H3,(H4,20,23,24,28)(H5,21,22,25,26,27).
What are the key properties of 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine has a molecular weight of 462.65 g/mol, XLogP of 0.50, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[[amino-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methylidene]amino]methyl]thiophen-2-yl]ethyl]-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 174007469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).