6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide

C12H13IN2O2S — CID 10292899

IUPAC6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
SMILESCOc1cc2c(cc1OC)-c1nc(N)sc1C2.I
InChIInChI=1S/C12H12N2O2S.HI/c1-15-8-3-6-4-10-11(14-12(13)17-10)7(6)5-9(8)16-2;/h3,5H,4H2,1-2H3,(H2,13,14);1H
InChIKeyWIUKUZIKTRGASW-UHFFFAOYSA-N
MW376.22 g/mol
LogP2.93
Rot. Bonds2

About 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide

6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide (PubChem CID 10292899) has the molecular formula C12H13IN2O2S and a molecular weight of 376.22 g/mol. Its IUPAC name is 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide.

Molecular Properties

Compound Name6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
PubChem CID10292899
Molecular FormulaC12H13IN2O2S
Molecular Weight376.22 g/mol
Exact Mass375.97
IUPAC Name6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide
SMILESCOc1cc2c(cc1OC)-c1nc(N)sc1C2.I
InChIInChI=1S/C12H12N2O2S.HI/c1-15-8-3-6-4-10-11(14-12(13)17-10)7(6)5-9(8)16-2;/h3,5H,4H2,1-2H3,(H2,13,14);1H
InChIKeyWIUKUZIKTRGASW-UHFFFAOYSA-N
XLogP2.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
The IUPAC name of 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide (CID 10292899) is 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide.
What is the SMILES notation for 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
The canonical SMILES for 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide is COc1cc2c(cc1OC)-c1nc(N)sc1C2.I.
What is the InChIKey of 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
The InChIKey is WIUKUZIKTRGASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S.HI/c1-15-8-3-6-4-10-11(14-12(13)17-10)7(6)5-9(8)16-2;/h3,5H,4H2,1-2H3,(H2,13,14);1H.
What are the key properties of 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide?
6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide has a molecular weight of 376.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4H-indeno[1,2-d][1,3]thiazol-2-amine;hydroiodide is sourced from PubChem (CID 10292899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).