6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride

C8H9ClN4OS — CID 21151801

IUPAC6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride
SMILESCl.Nc1nc2ccc3[nH]cnc3c2s1.O
InChIInChI=1S/C8H6N4S.ClH.H2O/c9-8-12-5-2-1-4-6(7(5)13-8)11-3-10-4;;/h1-3H,(H2,9,12)(H,10,11);1H;1H2
InChIKeyNMAVIKHXWBFWFA-UHFFFAOYSA-N
MW244.71 g/mol
LogP1.35
Rot. Bonds

About 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride

6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride (PubChem CID 21151801) has the molecular formula C8H9ClN4OS and a molecular weight of 244.71 g/mol. Its IUPAC name is 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride
PubChem CID21151801
Molecular FormulaC8H9ClN4OS
Molecular Weight244.71 g/mol
Exact Mass244.02
IUPAC Name6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride
SMILESCl.Nc1nc2ccc3[nH]cnc3c2s1.O
InChIInChI=1S/C8H6N4S.ClH.H2O/c9-8-12-5-2-1-4-6(7(5)13-8)11-3-10-4;;/h1-3H,(H2,9,12)(H,10,11);1H;1H2
InChIKeyNMAVIKHXWBFWFA-UHFFFAOYSA-N
XLogP1.35
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.71
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride?
The IUPAC name of 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride (CID 21151801) is 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride.
What is the SMILES notation for 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride?
The canonical SMILES for 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride is Cl.Nc1nc2ccc3[nH]cnc3c2s1.O.
What is the InChIKey of 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride?
The InChIKey is NMAVIKHXWBFWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S.ClH.H2O/c9-8-12-5-2-1-4-6(7(5)13-8)11-3-10-4;;/h1-3H,(H2,9,12)(H,10,11);1H;1H2.
What are the key properties of 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride?
6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride has a molecular weight of 244.71 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-imidazo[4,5-g][1,3]benzothiazol-2-amine;hydrate;hydrochloride is sourced from PubChem (CID 21151801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).