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

C17H25N3O2S — CID 53148624

IUPAC2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCC(C)C)Sc2ncccc21
InChIInChI=1S/C17H25N3O2S/c1-4-5-9-20-13-7-6-8-18-16(13)23-14(17(20)22)10-15(21)19-11-12(2)3/h6-8,12,14H,4-5,9-11H2,1-3H3,(H,19,21)
InChIKeyNHHFQQQFQSKDJZ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.85
Rot. Bonds7

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

2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 53148624) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide
PubChem CID53148624
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCC(C)C)Sc2ncccc21
InChIInChI=1S/C17H25N3O2S/c1-4-5-9-20-13-7-6-8-18-16(13)23-14(17(20)22)10-15(21)19-11-12(2)3/h6-8,12,14H,4-5,9-11H2,1-3H3,(H,19,21)
InChIKeyNHHFQQQFQSKDJZ-UHFFFAOYSA-N
XLogP2.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide (CID 53148624) is 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide is CCCCN1C(=O)C(CC(=O)NCC(C)C)Sc2ncccc21.
What is the InChIKey of 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is NHHFQQQFQSKDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-4-5-9-20-13-7-6-8-18-16(13)23-14(17(20)22)10-15(21)19-11-12(2)3/h6-8,12,14H,4-5,9-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide?
2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 53148624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).