1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine

C8H13N5S — CID 123740792

IUPAC1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine
SMILESCN(C)C(N)=N/C(N)=N/c1ccsc1
InChIInChI=1S/C8H13N5S/c1-13(2)8(10)12-7(9)11-6-3-4-14-5-6/h3-5H,1-2H3,(H4,9,10,11,12)
InChIKeyKCLYYRVMTPEQNA-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.57
Rot. Bonds1

About 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine

1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine (PubChem CID 123740792) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine
PubChem CID123740792
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine
SMILESCN(C)C(N)=N/C(N)=N/c1ccsc1
InChIInChI=1S/C8H13N5S/c1-13(2)8(10)12-7(9)11-6-3-4-14-5-6/h3-5H,1-2H3,(H4,9,10,11,12)
InChIKeyKCLYYRVMTPEQNA-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
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 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine?
The IUPAC name of 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine (CID 123740792) is 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine.
What is the SMILES notation for 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine?
The canonical SMILES for 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine is CN(C)C(N)=N/C(N)=N/c1ccsc1.
What is the InChIKey of 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine?
The InChIKey is KCLYYRVMTPEQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c1-13(2)8(10)12-7(9)11-6-3-4-14-5-6/h3-5H,1-2H3,(H4,9,10,11,12).
What are the key properties of 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine?
1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine has a molecular weight of 211.29 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(N'-thiophen-3-ylcarbamimidoyl)guanidine is sourced from PubChem (CID 123740792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).