2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine

C8H12N4S — CID 77060306

IUPAC2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine
SMILESCc1cc(C=NN=C(N)N)c(C)s1
InChIInChI=1S/C8H12N4S/c1-5-3-7(6(2)13-5)4-11-12-8(9)10/h3-4H,1-2H3,(H4,9,10,12)
InChIKeyUJLJRGDSBSRBAZ-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.97
Rot. Bonds2

About 2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine

2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine (PubChem CID 77060306) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine
PubChem CID77060306
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine
SMILESCc1cc(C=NN=C(N)N)c(C)s1
InChIInChI=1S/C8H12N4S/c1-5-3-7(6(2)13-5)4-11-12-8(9)10/h3-4H,1-2H3,(H4,9,10,12)
InChIKeyUJLJRGDSBSRBAZ-UHFFFAOYSA-N
XLogP0.97
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine (CID 77060306) is 2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine is Cc1cc(C=NN=C(N)N)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine?
The InChIKey is UJLJRGDSBSRBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-5-3-7(6(2)13-5)4-11-12-8(9)10/h3-4H,1-2H3,(H4,9,10,12).
What are the key properties of 2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine?
2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine has a molecular weight of 196.28 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophen-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 77060306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).