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

C14H19N3O2S — CID 6625454

IUPAC4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)CSc2ncccc21
InChIInChI=1S/C14H19N3O2S/c1-10(2)16-12(18)6-4-8-17-11-5-3-7-15-14(11)20-9-13(17)19/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,16,18)
InChIKeyBJTPHBAABUXXDC-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.83
Rot. Bonds5

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

4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide (PubChem CID 6625454) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide
PubChem CID6625454
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1C(=O)CSc2ncccc21
InChIInChI=1S/C14H19N3O2S/c1-10(2)16-12(18)6-4-8-17-11-5-3-7-15-14(11)20-9-13(17)19/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,16,18)
InChIKeyBJTPHBAABUXXDC-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-propan-2-ylbutanamide?
The IUPAC name of 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide (CID 6625454) is 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCN1C(=O)CSc2ncccc21.
What is the InChIKey of 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide?
The InChIKey is BJTPHBAABUXXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)16-12(18)6-4-8-17-11-5-3-7-15-14(11)20-9-13(17)19/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide?
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide has a molecular weight of 293.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 6625454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).