N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C13H21N3OS — CID 64976705

IUPACN-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(N3CCOC(C)C3)nc21
InChIInChI=1S/C13H21N3OS/c1-9-8-16(6-7-17-9)13-15-12-10(14-2)4-3-5-11(12)18-13/h9-10,14H,3-8H2,1-2H3
InChIKeyRFDCWRLJOIOVPH-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.97
Rot. Bonds2

About N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64976705) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64976705
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCNC1CCCc2sc(N3CCOC(C)C3)nc21
InChIInChI=1S/C13H21N3OS/c1-9-8-16(6-7-17-9)13-15-12-10(14-2)4-3-5-11(12)18-13/h9-10,14H,3-8H2,1-2H3
InChIKeyRFDCWRLJOIOVPH-UHFFFAOYSA-N
XLogP1.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64976705) is N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CNC1CCCc2sc(N3CCOC(C)C3)nc21.
What is the InChIKey of N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is RFDCWRLJOIOVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-8-16(6-7-17-9)13-15-12-10(14-2)4-3-5-11(12)18-13/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 267.40 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64976705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).