1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine

C8H13N5S — CID 123989659

IUPAC1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine
SMILESC/N=C(\N)N=C(N)N(C)c1cccs1
InChIInChI=1S/C8H13N5S/c1-11-7(9)12-8(10)13(2)6-4-3-5-14-6/h3-5H,1-2H3,(H4,9,10,11,12)
InChIKeyCEHABUOGYBBARV-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.44
Rot. Bonds1

About 1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine

1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine (PubChem CID 123989659) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine.

Molecular Properties

Compound Name1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine
PubChem CID123989659
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine
SMILESC/N=C(\N)N=C(N)N(C)c1cccs1
InChIInChI=1S/C8H13N5S/c1-11-7(9)12-8(10)13(2)6-4-3-5-14-6/h3-5H,1-2H3,(H4,9,10,11,12)
InChIKeyCEHABUOGYBBARV-UHFFFAOYSA-N
XLogP0.44
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine?
The IUPAC name of 1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine (CID 123989659) is 1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine.
What is the SMILES notation for 1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine?
The canonical SMILES for 1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine is C/N=C(\N)N=C(N)N(C)c1cccs1.
What is the InChIKey of 1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine?
The InChIKey is CEHABUOGYBBARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c1-11-7(9)12-8(10)13(2)6-4-3-5-14-6/h3-5H,1-2H3,(H4,9,10,11,12).
What are the key properties of 1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine?
1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine has a molecular weight of 211.29 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(N'-methylcarbamimidoyl)-1-thiophen-2-ylguanidine is sourced from PubChem (CID 123989659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).