diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium

C11H13N4S+ — CID 7176101

IUPACdiaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium
SMILESCc1ccccc1-c1csc([NH+]=C(N)N)n1
InChIInChI=1S/C11H12N4S/c1-7-4-2-3-5-8(7)9-6-16-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15)/p+1
InChIKeyLLVXYMYECOBAHK-UHFFFAOYSA-O
MW233.32 g/mol
LogP0.10
Rot. Bonds2

About diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium

diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium (PubChem CID 7176101) has the molecular formula C11H13N4S+ and a molecular weight of 233.32 g/mol. Its IUPAC name is diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium.

Molecular Properties

Compound Namediaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium
PubChem CID7176101
Molecular FormulaC11H13N4S+
Molecular Weight233.32 g/mol
Exact Mass233.09
IUPAC Namediaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium
SMILESCc1ccccc1-c1csc([NH+]=C(N)N)n1
InChIInChI=1S/C11H12N4S/c1-7-4-2-3-5-8(7)9-6-16-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15)/p+1
InChIKeyLLVXYMYECOBAHK-UHFFFAOYSA-O
XLogP0.10
TPSA78.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium 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 diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium?
The IUPAC name of diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium (CID 7176101) is diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium.
What is the SMILES notation for diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium?
The canonical SMILES for diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium is Cc1ccccc1-c1csc([NH+]=C(N)N)n1.
What is the InChIKey of diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium?
The InChIKey is LLVXYMYECOBAHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12N4S/c1-7-4-2-3-5-8(7)9-6-16-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15)/p+1.
What are the key properties of diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium?
diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium has a molecular weight of 233.32 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[4-(2-methylphenyl)-1,3-thiazol-2-yl]azanium is sourced from PubChem (CID 7176101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).