2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide

C16H21N3O3S — CID 126781000

IUPAC2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide
SMILESCCC1(C)CN(C(=O)Nc2nc3ccc(OC)cc3s2)CCO1
InChIInChI=1S/C16H21N3O3S/c1-4-16(2)10-19(7-8-22-16)15(20)18-14-17-12-6-5-11(21-3)9-13(12)23-14/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,18,20)
InChIKeyBOUNTJZDUUHODG-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.34
Rot. Bonds3

About 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide

2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide (PubChem CID 126781000) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide
PubChem CID126781000
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide
SMILESCCC1(C)CN(C(=O)Nc2nc3ccc(OC)cc3s2)CCO1
InChIInChI=1S/C16H21N3O3S/c1-4-16(2)10-19(7-8-22-16)15(20)18-14-17-12-6-5-11(21-3)9-13(12)23-14/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,18,20)
InChIKeyBOUNTJZDUUHODG-UHFFFAOYSA-N
XLogP3.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 115581762
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044853
2-(2,2-dimethylmorpholin-4-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 37403117
(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 845796
(2S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 884256
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 115603712
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
CID 61173509
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide (CID 126781000) is 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide is CCC1(C)CN(C(=O)Nc2nc3ccc(OC)cc3s2)CCO1.
What is the InChIKey of 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide?
The InChIKey is BOUNTJZDUUHODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-16(2)10-19(7-8-22-16)15(20)18-14-17-12-6-5-11(21-3)9-13(12)23-14/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,18,20).
What are the key properties of 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide?
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 126781000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).