2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H26N4S — CID 81469907

IUPAC2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(N3CC(C)C(N(C)C)C3)sc21
InChIInChI=1S/C15H26N4S/c1-10-8-19(9-13(10)18(3)4)15-17-12-7-5-6-11(16-2)14(12)20-15/h10-11,13,16H,5-9H2,1-4H3
InChIKeyJYMPLGSCKGMDHD-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.13
Rot. Bonds3

About 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 81469907) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID81469907
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(N3CC(C)C(N(C)C)C3)sc21
InChIInChI=1S/C15H26N4S/c1-10-8-19(9-13(10)18(3)4)15-17-12-7-5-6-11(16-2)14(12)20-15/h10-11,13,16H,5-9H2,1-4H3
InChIKeyJYMPLGSCKGMDHD-UHFFFAOYSA-N
XLogP2.13
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 81469907) is 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(N3CC(C)C(N(C)C)C3)sc21.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is JYMPLGSCKGMDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-10-8-19(9-13(10)18(3)4)15-17-12-7-5-6-11(16-2)14(12)20-15/h10-11,13,16H,5-9H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 294.47 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 81469907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).