N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride

C12H21Cl2N3OS — CID 119886861

IUPACN-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride
SMILESCNCC(=O)N(C)C1CCCc2nc(C)sc21.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-8-14-9-5-4-6-10(12(9)17-8)15(3)11(16)7-13-2;;/h10,13H,4-7H2,1-3H3;2*1H
InChIKeyOOSPXBAXRIEVCO-UHFFFAOYSA-N
MW326.29 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride

N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride (PubChem CID 119886861) has the molecular formula C12H21Cl2N3OS and a molecular weight of 326.29 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride
PubChem CID119886861
Molecular FormulaC12H21Cl2N3OS
Molecular Weight326.29 g/mol
Exact Mass325.08
IUPAC NameN-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride
SMILESCNCC(=O)N(C)C1CCCc2nc(C)sc21.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-8-14-9-5-4-6-10(12(9)17-8)15(3)11(16)7-13-2;;/h10,13H,4-7H2,1-3H3;2*1H
InChIKeyOOSPXBAXRIEVCO-UHFFFAOYSA-N
XLogP2.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride?
The IUPAC name of N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride (CID 119886861) is N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride?
The canonical SMILES for N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride is CNCC(=O)N(C)C1CCCc2nc(C)sc21.Cl.Cl.
What is the InChIKey of N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride?
The InChIKey is OOSPXBAXRIEVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.2ClH/c1-8-14-9-5-4-6-10(12(9)17-8)15(3)11(16)7-13-2;;/h10,13H,4-7H2,1-3H3;2*1H.
What are the key properties of N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride?
N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride has a molecular weight of 326.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119886861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).