2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C13H21N3S2 — CID 64977637

IUPAC2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC1CN(c2nc3c(s2)CCCC3N)CC(C)S1
InChIInChI=1S/C13H21N3S2/c1-8-6-16(7-9(2)17-8)13-15-12-10(14)4-3-5-11(12)18-13/h8-10H,3-7,14H2,1-2H3
InChIKeyFIYDQKDDGPFYHY-UHFFFAOYSA-N
MW283.47 g/mol
LogP2.81
Rot. Bonds1

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

2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64977637) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64977637
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCC1CN(c2nc3c(s2)CCCC3N)CC(C)S1
InChIInChI=1S/C13H21N3S2/c1-8-6-16(7-9(2)17-8)13-15-12-10(14)4-3-5-11(12)18-13/h8-10H,3-7,14H2,1-2H3
InChIKeyFIYDQKDDGPFYHY-UHFFFAOYSA-N
XLogP2.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64977637) is 2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CC1CN(c2nc3c(s2)CCCC3N)CC(C)S1.
What is the InChIKey of 2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is FIYDQKDDGPFYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-8-6-16(7-9(2)17-8)13-15-12-10(14)4-3-5-11(12)18-13/h8-10H,3-7,14H2,1-2H3.
What are the key properties of 2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 283.47 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylthiomorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64977637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).