2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine

C8H13N5S — CID 76872427

IUPAC2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine
SMILESCN(C)c1ccc(C=NN=C(N)N)s1
InChIInChI=1S/C8H13N5S/c1-13(2)7-4-3-6(14-7)5-11-12-8(9)10/h3-5H,1-2H3,(H4,9,10,12)
InChIKeyICAVBDGHMOIREN-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.42
Rot. Bonds3

About 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine

2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine (PubChem CID 76872427) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine
PubChem CID76872427
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine
SMILESCN(C)c1ccc(C=NN=C(N)N)s1
InChIInChI=1S/C8H13N5S/c1-13(2)7-4-3-6(14-7)5-11-12-8(9)10/h3-5H,1-2H3,(H4,9,10,12)
InChIKeyICAVBDGHMOIREN-UHFFFAOYSA-N
XLogP0.42
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine?
The IUPAC name of 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine (CID 76872427) is 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine is CN(C)c1ccc(C=NN=C(N)N)s1.
What is the InChIKey of 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine?
The InChIKey is ICAVBDGHMOIREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c1-13(2)7-4-3-6(14-7)5-11-12-8(9)10/h3-5H,1-2H3,(H4,9,10,12).
What are the key properties of 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine?
2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine has a molecular weight of 211.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)thiophen-2-yl]methylideneamino]guanidine is sourced from PubChem (CID 76872427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).