6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide

C18H18IN3S — CID 135906489

IUPAC6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
SMILESCN(C)c1ccc(-c2ccc3c(c2)Cc2sc(N)[nH+]c2-3)cc1.[I-]
InChIInChI=1S/C18H17N3S.HI/c1-21(2)14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16-17(15)20-18(19)22-16;/h3-9H,10H2,1-2H3,(H2,19,20);1H
InChIKeyNGQAGYKZLKYGKQ-UHFFFAOYSA-N
MW435.33 g/mol
LogP0.45
Rot. Bonds2

About 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide

6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide (PubChem CID 135906489) has the molecular formula C18H18IN3S and a molecular weight of 435.33 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
PubChem CID135906489
Molecular FormulaC18H18IN3S
Molecular Weight435.33 g/mol
Exact Mass435.03
IUPAC Name6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
SMILESCN(C)c1ccc(-c2ccc3c(c2)Cc2sc(N)[nH+]c2-3)cc1.[I-]
InChIInChI=1S/C18H17N3S.HI/c1-21(2)14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16-17(15)20-18(19)22-16;/h3-9H,10H2,1-2H3,(H2,19,20);1H
InChIKeyNGQAGYKZLKYGKQ-UHFFFAOYSA-N
XLogP0.45
TPSA43.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide 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 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide (CID 135906489) is 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide is CN(C)c1ccc(-c2ccc3c(c2)Cc2sc(N)[nH+]c2-3)cc1.[I-].
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
The InChIKey is NGQAGYKZLKYGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3S.HI/c1-21(2)14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-16-17(15)20-18(19)22-16;/h3-9H,10H2,1-2H3,(H2,19,20);1H.
What are the key properties of 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide has a molecular weight of 435.33 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide is sourced from PubChem (CID 135906489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).