5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide

C8H13IN2S — CID 11659373

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide
SMILESI.Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C8H12N2S.HI/c9-8-10-6-4-2-1-3-5-7(6)11-8;/h1-5H2,(H2,9,10);1H
InChIKeyXNGUDUZJUSPICK-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.61
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide

5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide (PubChem CID 11659373) has the molecular formula C8H13IN2S and a molecular weight of 296.18 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide
PubChem CID11659373
Molecular FormulaC8H13IN2S
Molecular Weight296.18 g/mol
Exact Mass295.98
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide
SMILESI.Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C8H12N2S.HI/c9-8-10-6-4-2-1-3-5-7(6)11-8;/h1-5H2,(H2,9,10);1H
InChIKeyXNGUDUZJUSPICK-UHFFFAOYSA-N
XLogP2.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide (CID 11659373) is 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide is I.Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide?
The InChIKey is XNGUDUZJUSPICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.HI/c9-8-10-6-4-2-1-3-5-7(6)11-8;/h1-5H2,(H2,9,10);1H.
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide?
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide has a molecular weight of 296.18 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide is sourced from PubChem (CID 11659373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).