N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

C15H20N4O3S — CID 5307171

IUPACN-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ncccc21)NCCN1CCOCC1
InChIInChI=1S/C15H20N4O3S/c20-13(16-4-5-18-6-8-22-9-7-18)10-19-12-2-1-3-17-15(12)23-11-14(19)21/h1-3H,4-11H2,(H,16,20)
InChIKeyDFHWBLCCRRPRDG-UHFFFAOYSA-N
MW336.42 g/mol
LogP-0.03
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 5307171) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID5307171
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ncccc21)NCCN1CCOCC1
InChIInChI=1S/C15H20N4O3S/c20-13(16-4-5-18-6-8-22-9-7-18)10-19-12-2-1-3-17-15(12)23-11-14(19)21/h1-3H,4-11H2,(H,16,20)
InChIKeyDFHWBLCCRRPRDG-UHFFFAOYSA-N
XLogP-0.03
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 5307171) is N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is O=C(CN1C(=O)CSc2ncccc21)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is DFHWBLCCRRPRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c20-13(16-4-5-18-6-8-22-9-7-18)10-19-12-2-1-3-17-15(12)23-11-14(19)21/h1-3H,4-11H2,(H,16,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 336.42 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 5307171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).