2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine

C11H11ClN6S — CID 2730236

IUPAC2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H11ClN6S/c12-7-3-1-6(2-4-7)8-5-19-11(16-8)18-10(15)17-9(13)14/h1-5H,(H6,13,14,15,16,17,18)
InChIKeyAYSBDDMKAHXWKU-UHFFFAOYSA-N
MW294.77 g/mol
LogP1.68
Rot. Bonds2

About 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine (PubChem CID 2730236) has the molecular formula C11H11ClN6S and a molecular weight of 294.77 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine
PubChem CID2730236
Molecular FormulaC11H11ClN6S
Molecular Weight294.77 g/mol
Exact Mass294.05
IUPAC Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C11H11ClN6S/c12-7-3-1-6(2-4-7)8-5-19-11(16-8)18-10(15)17-9(13)14/h1-5H,(H6,13,14,15,16,17,18)
InChIKeyAYSBDDMKAHXWKU-UHFFFAOYSA-N
XLogP1.68
TPSA115.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine (CID 2730236) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine is NC(N)=NC(N)=Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine?
The InChIKey is AYSBDDMKAHXWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6S/c12-7-3-1-6(2-4-7)8-5-19-11(16-8)18-10(15)17-9(13)14/h1-5H,(H6,13,14,15,16,17,18).
What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine?
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine has a molecular weight of 294.77 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 2730236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).