5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide

C11H11IN2S — CID 135881796

IUPAC5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
SMILESCc1cccc2c1Cc1sc(N)[nH+]c1-2.[I-]
InChIInChI=1S/C11H10N2S.HI/c1-6-3-2-4-7-8(6)5-9-10(7)13-11(12)14-9;/h2-4H,5H2,1H3,(H2,12,13);1H
InChIKeyZWVANVQGVPVJPM-UHFFFAOYSA-N
MW330.19 g/mol
LogP-0.97
Rot. Bonds

About 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide

5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide (PubChem CID 135881796) has the molecular formula C11H11IN2S and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide.

Molecular Properties

Compound Name5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
PubChem CID135881796
Molecular FormulaC11H11IN2S
Molecular Weight330.19 g/mol
Exact Mass329.97
IUPAC Name5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide
SMILESCc1cccc2c1Cc1sc(N)[nH+]c1-2.[I-]
InChIInChI=1S/C11H10N2S.HI/c1-6-3-2-4-7-8(6)5-9-10(7)13-11(12)14-9;/h2-4H,5H2,1H3,(H2,12,13);1H
InChIKeyZWVANVQGVPVJPM-UHFFFAOYSA-N
XLogP-0.97
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methyl-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 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
The IUPAC name of 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide (CID 135881796) is 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide.
What is the SMILES notation for 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
The canonical SMILES for 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide is Cc1cccc2c1Cc1sc(N)[nH+]c1-2.[I-].
What is the InChIKey of 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
The InChIKey is ZWVANVQGVPVJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S.HI/c1-6-3-2-4-7-8(6)5-9-10(7)13-11(12)14-9;/h2-4H,5H2,1H3,(H2,12,13);1H.
What are the key properties of 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide?
5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide has a molecular weight of 330.19 g/mol, XLogP of -0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4H-indeno[1,2-d][1,3]thiazol-1-ium-2-amine iodide is sourced from PubChem (CID 135881796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).