3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline

C12H10N4S — CID 61176601

IUPAC3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline
SMILESNc1cccc(-c2nccn2-c2nccs2)c1
InChIInChI=1S/C12H10N4S/c13-10-3-1-2-9(8-10)11-14-4-6-16(11)12-15-5-7-17-12/h1-8H,13H2
InChIKeyZHSLVESFYNZYMW-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.58
Rot. Bonds2

About 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline

3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline (PubChem CID 61176601) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline
PubChem CID61176601
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline
SMILESNc1cccc(-c2nccn2-c2nccs2)c1
InChIInChI=1S/C12H10N4S/c13-10-3-1-2-9(8-10)11-14-4-6-16(11)12-15-5-7-17-12/h1-8H,13H2
InChIKeyZHSLVESFYNZYMW-UHFFFAOYSA-N
XLogP2.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline 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 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline?
The IUPAC name of 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline (CID 61176601) is 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline.
What is the SMILES notation for 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline?
The canonical SMILES for 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline is Nc1cccc(-c2nccn2-c2nccs2)c1.
What is the InChIKey of 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline?
The InChIKey is ZHSLVESFYNZYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-10-3-1-2-9(8-10)11-14-4-6-16(11)12-15-5-7-17-12/h1-8H,13H2.
What are the key properties of 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline?
3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline has a molecular weight of 242.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-2-yl)imidazol-2-yl]aniline is sourced from PubChem (CID 61176601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).