6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide

C11H11IN2OS — CID 10125973

IUPAC6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
SMILESCOc1ccc2c(c1)Cc1sc(N)nc1-2.I
InChIInChI=1S/C11H10N2OS.HI/c1-14-7-2-3-8-6(4-7)5-9-10(8)13-11(12)15-9;/h2-4H,5H2,1H3,(H2,12,13);1H
InChIKeyPPUKKRQUJKDHGE-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.92
Rot. Bonds1

About 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide

6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide (PubChem CID 10125973) has the molecular formula C11H11IN2OS and a molecular weight of 346.19 g/mol. Its IUPAC name is 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide.

Molecular Properties

Compound Name6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
PubChem CID10125973
Molecular FormulaC11H11IN2OS
Molecular Weight346.19 g/mol
Exact Mass345.96
IUPAC Name6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
SMILESCOc1ccc2c(c1)Cc1sc(N)nc1-2.I
InChIInChI=1S/C11H10N2OS.HI/c1-14-7-2-3-8-6(4-7)5-9-10(8)13-11(12)15-9;/h2-4H,5H2,1H3,(H2,12,13);1H
InChIKeyPPUKKRQUJKDHGE-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
The IUPAC name of 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide (CID 10125973) is 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide.
What is the SMILES notation for 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
The canonical SMILES for 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide is COc1ccc2c(c1)Cc1sc(N)nc1-2.I.
What is the InChIKey of 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
The InChIKey is PPUKKRQUJKDHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS.HI/c1-14-7-2-3-8-6(4-7)5-9-10(8)13-11(12)15-9;/h2-4H,5H2,1H3,(H2,12,13);1H.
What are the key properties of 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide has a molecular weight of 346.19 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide is sourced from PubChem (CID 10125973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).