2-(4-phenyl-1,3-thiazol-2-yl)guanidine

C10H10N4S — CID 3763607

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)guanidine
SMILESNC(N)=Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H10N4S/c11-9(12)14-10-13-8(6-15-10)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)
InChIKeyGENKQMMVXFFZPC-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.72
Rot. Bonds2

About 2-(4-phenyl-1,3-thiazol-2-yl)guanidine

2-(4-phenyl-1,3-thiazol-2-yl)guanidine (PubChem CID 3763607) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)guanidine
PubChem CID3763607
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)guanidine
SMILESNC(N)=Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H10N4S/c11-9(12)14-10-13-8(6-15-10)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)
InChIKeyGENKQMMVXFFZPC-UHFFFAOYSA-N
XLogP1.72
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)guanidine?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)guanidine (CID 3763607) is 2-(4-phenyl-1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)guanidine?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)guanidine is NC(N)=Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)guanidine?
The InChIKey is GENKQMMVXFFZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c11-9(12)14-10-13-8(6-15-10)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14).
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)guanidine?
2-(4-phenyl-1,3-thiazol-2-yl)guanidine has a molecular weight of 218.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 3763607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).