(4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride

C9H15ClN2OS — CID 70245954

IUPAC(4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride
SMILESCN[C@@H]1CCCc2snc(OC)c21.Cl
InChIInChI=1S/C9H14N2OS.ClH/c1-10-6-4-3-5-7-8(6)9(12-2)11-13-7;/h6,10H,3-5H2,1-2H3;1H/t6-;/m1./s1
InChIKeyOBIRVYIYTANKJI-FYZOBXCZSA-N
MW234.75 g/mol
LogP2.17
Rot. Bonds2

About (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride

(4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride (PubChem CID 70245954) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride.

Molecular Properties

Compound Name(4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride
PubChem CID70245954
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name(4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride
SMILESCN[C@@H]1CCCc2snc(OC)c21.Cl
InChIInChI=1S/C9H14N2OS.ClH/c1-10-6-4-3-5-7-8(6)9(12-2)11-13-7;/h6,10H,3-5H2,1-2H3;1H/t6-;/m1./s1
InChIKeyOBIRVYIYTANKJI-FYZOBXCZSA-N
XLogP2.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine
CID 21266616
3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride
CID 21266631
3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine
CID 21266632
3-Methoxy-7-methyl-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine
CID 23053808
(4R)-3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine
CID 53760682
(4S)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine
CID 53949382
(4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine
CID 53949383
3-Methoxy-4,5,6,7-tetrahydro-[1,2]thiazolo[4,5-c]pyridine;hydrochloride
CID 67903483
3-Methoxy-5-methyl-4-piperidin-2-yl-1,2-thiazole
CID 82394341

Frequently Asked Questions

What is the IUPAC name of (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride?
The IUPAC name of (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride (CID 70245954) is (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride.
What is the SMILES notation for (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride?
The canonical SMILES for (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride is CN[C@@H]1CCCc2snc(OC)c21.Cl.
What is the InChIKey of (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride?
The InChIKey is OBIRVYIYTANKJI-FYZOBXCZSA-N. The full InChI is InChI=1S/C9H14N2OS.ClH/c1-10-6-4-3-5-7-8(6)9(12-2)11-13-7;/h6,10H,3-5H2,1-2H3;1H/t6-;/m1./s1.
What are the key properties of (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride?
(4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride has a molecular weight of 234.75 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-methoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine;hydrochloride is sourced from PubChem (CID 70245954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).