ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide

C9H15I5N2S — CID 176683267

IUPACethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide
SMILESCC.Cc1nc2cnc(I)cc2s1.I.I.I.I
InChIInChI=1S/C7H5IN2S.C2H6.4HI/c1-4-10-5-3-9-7(8)2-6(5)11-4;1-2;;;;/h2-3H,1H3;1-2H3;4*1H
InChIKeyCPQCWWOIKMQALF-UHFFFAOYSA-N
MW817.82 g/mol
LogP6.10
Rot. Bonds

About ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide

ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide (PubChem CID 176683267) has the molecular formula C9H15I5N2S and a molecular weight of 817.82 g/mol. Its IUPAC name is ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide.

Molecular Properties

Compound Nameethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide
PubChem CID176683267
Molecular FormulaC9H15I5N2S
Molecular Weight817.82 g/mol
Exact Mass817.62
IUPAC Nameethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide
SMILESCC.Cc1nc2cnc(I)cc2s1.I.I.I.I
InChIInChI=1S/C7H5IN2S.C2H6.4HI/c1-4-10-5-3-9-7(8)2-6(5)11-4;1-2;;;;/h2-3H,1H3;1-2H3;4*1H
InChIKeyCPQCWWOIKMQALF-UHFFFAOYSA-N
XLogP6.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.82
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-Pyridinyl)benzothiazole
CID 12856
2-(Pyridin-2-ylsulfanylmethyl)-1,3-benzothiazole
CID 2417513
2-Methyl-[1,3]thiazolo[4,5-c]pyridine
CID 640721
2-Chloro-[1,3]thiazolo[5,4-b]pyridine
CID 13342803
2-(4-Propylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 11212407
N,N-dimethyl-2-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-ylsulfanyl)ethanamine
CID 101747513
2-(Chloromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 14204207
(NE)-N-[1,3-benzothiazol-2-yl(pyrazin-2-yl)methylidene]hydroxylamine
CID 166626948
6-Isothiocyanato-2-(pyridin-2-yl)-1,3-benzothiazole
CID 12781905
2-Phenyl-[1,3]thiazolo[5,4-b]pyridine
CID 353021
2-(Methylthio)thiazolo[5,4-b]pyridine
CID 699840
(1,3)Thiazolo(4,5-c)pyridin-2-amine
CID 14252938

Frequently Asked Questions

What is the IUPAC name of ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide?
The IUPAC name of ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide (CID 176683267) is ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide.
What is the SMILES notation for ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide?
The canonical SMILES for ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide is CC.Cc1nc2cnc(I)cc2s1.I.I.I.I.
What is the InChIKey of ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide?
The InChIKey is CPQCWWOIKMQALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2S.C2H6.4HI/c1-4-10-5-3-9-7(8)2-6(5)11-4;1-2;;;;/h2-3H,1H3;1-2H3;4*1H.
What are the key properties of ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide?
ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide has a molecular weight of 817.82 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide is sourced from PubChem (CID 176683267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).