N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C15H19N3O2S — CID 6468194

IUPACN-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2nc3ccccc3s2)CC(C)O1
InChIInChI=1S/C15H19N3O2S/c1-10-7-18(8-11(2)20-10)9-14(19)17-15-16-12-5-3-4-6-13(12)21-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)
InChIKeyFVWYHIRBYMNAMA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.34
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 6468194) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID6468194
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2nc3ccccc3s2)CC(C)O1
InChIInChI=1S/C15H19N3O2S/c1-10-7-18(8-11(2)20-10)9-14(19)17-15-16-12-5-3-4-6-13(12)21-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19)
InChIKeyFVWYHIRBYMNAMA-UHFFFAOYSA-N
XLogP2.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 6468194) is N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2nc3ccccc3s2)CC(C)O1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is FVWYHIRBYMNAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-7-18(8-11(2)20-10)9-14(19)17-15-16-12-5-3-4-6-13(12)21-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 6468194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).