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

C17H25N3O3S — CID 46261547

IUPAC4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCCN1C(=O)CSc2ncccc21
InChIInChI=1S/C17H25N3O3S/c1-13(2)23-11-5-9-18-15(21)7-4-10-20-14-6-3-8-19-17(14)24-12-16(20)22/h3,6,8,13H,4-5,7,9-12H2,1-2H3,(H,18,21)
InChIKeyVJWIYUIBGIUTQQ-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.23
Rot. Bonds9

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

4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide (PubChem CID 46261547) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide.

Molecular Properties

Compound Name4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
PubChem CID46261547
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
SMILESCC(C)OCCCNC(=O)CCCN1C(=O)CSc2ncccc21
InChIInChI=1S/C17H25N3O3S/c1-13(2)23-11-5-9-18-15(21)7-4-10-20-14-6-3-8-19-17(14)24-12-16(20)22/h3,6,8,13H,4-5,7,9-12H2,1-2H3,(H,18,21)
InChIKeyVJWIYUIBGIUTQQ-UHFFFAOYSA-N
XLogP2.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide?
The IUPAC name of 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide (CID 46261547) is 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide.
What is the SMILES notation for 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide?
The canonical SMILES for 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide is CC(C)OCCCNC(=O)CCCN1C(=O)CSc2ncccc21.
What is the InChIKey of 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide?
The InChIKey is VJWIYUIBGIUTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13(2)23-11-5-9-18-15(21)7-4-10-20-14-6-3-8-19-17(14)24-12-16(20)22/h3,6,8,13H,4-5,7,9-12H2,1-2H3,(H,18,21).
What are the key properties of 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide?
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide has a molecular weight of 351.47 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide is sourced from PubChem (CID 46261547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).