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

C18H26N4O3S — CID 20890074

IUPACN-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CSc2ncccc21)NCCCN1CCOCC1
InChIInChI=1S/C18H26N4O3S/c23-16(19-7-3-8-21-10-12-25-13-11-21)5-2-9-22-15-4-1-6-20-18(15)26-14-17(22)24/h1,4,6H,2-3,5,7-14H2,(H,19,23)
InChIKeyMINIHCGWJZOKGR-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.14
Rot. Bonds8

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

N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide (PubChem CID 20890074) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
PubChem CID20890074
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CSc2ncccc21)NCCCN1CCOCC1
InChIInChI=1S/C18H26N4O3S/c23-16(19-7-3-8-21-10-12-25-13-11-21)5-2-9-22-15-4-1-6-20-18(15)26-14-17(22)24/h1,4,6H,2-3,5,7-14H2,(H,19,23)
InChIKeyMINIHCGWJZOKGR-UHFFFAOYSA-N
XLogP1.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 46261547
N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
CID 6625425
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoic acid
CID 53212616
N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921259
1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 20890056
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 3252883
N-(2-morpholin-4-ylethyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262033
4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide
CID 166389608
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 20951581
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide (CID 20890074) is N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide is O=C(CCCN1C(=O)CSc2ncccc21)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide?
The InChIKey is MINIHCGWJZOKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c23-16(19-7-3-8-21-10-12-25-13-11-21)5-2-9-22-15-4-1-6-20-18(15)26-14-17(22)24/h1,4,6H,2-3,5,7-14H2,(H,19,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide?
N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide has a molecular weight of 378.50 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide is sourced from PubChem (CID 20890074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).