N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide

C16H17N3O3S — CID 53148522

IUPACN-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCc1ccc(CNC(=O)CC2Sc3ncccc3N(C)C2=O)o1
InChIInChI=1S/C16H17N3O3S/c1-10-5-6-11(22-10)9-18-14(20)8-13-16(21)19(2)12-4-3-7-17-15(12)23-13/h3-7,13H,8-9H2,1-2H3,(H,18,20)
InChIKeyXNLDCWZBFVSZOD-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.13
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide

N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (PubChem CID 53148522) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
PubChem CID53148522
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESCc1ccc(CNC(=O)CC2Sc3ncccc3N(C)C2=O)o1
InChIInChI=1S/C16H17N3O3S/c1-10-5-6-11(22-10)9-18-14(20)8-13-16(21)19(2)12-4-3-7-17-15(12)23-13/h3-7,13H,8-9H2,1-2H3,(H,18,20)
InChIKeyXNLDCWZBFVSZOD-UHFFFAOYSA-N
XLogP2.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide (CID 53148522) is N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is Cc1ccc(CNC(=O)CC2Sc3ncccc3N(C)C2=O)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The InChIKey is XNLDCWZBFVSZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-5-6-11(22-10)9-18-14(20)8-13-16(21)19(2)12-4-3-7-17-15(12)23-13/h3-7,13H,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide is sourced from PubChem (CID 53148522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).