4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide

C7H11IN2S — CID 11580040

IUPAC4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide
SMILESI.Nc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S.HI/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H2,8,9);1H
InChIKeySRIBOJGMWSVQMR-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.22
Rot. Bonds

About 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide

4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide (PubChem CID 11580040) has the molecular formula C7H11IN2S and a molecular weight of 282.15 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide
PubChem CID11580040
Molecular FormulaC7H11IN2S
Molecular Weight282.15 g/mol
Exact Mass281.97
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide
SMILESI.Nc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S.HI/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H2,8,9);1H
InChIKeySRIBOJGMWSVQMR-UHFFFAOYSA-N
XLogP2.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.22
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 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide (CID 11580040) is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide is I.Nc1nc2c(s1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide?
The InChIKey is SRIBOJGMWSVQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.HI/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H2,(H2,8,9);1H.
What are the key properties of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide?
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide has a molecular weight of 282.15 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydroiodide is sourced from PubChem (CID 11580040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).