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

C16H15N3O3S — CID 20889977

IUPACN-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)CSc3ncccc32)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-12-6-4-11(5-7-12)18-14(20)9-19-13-3-2-8-17-16(13)23-10-15(19)21/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyCDKJIDXOQTZBBC-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.17
Rot. Bonds4

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

N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 20889977) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID20889977
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)CSc3ncccc32)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-12-6-4-11(5-7-12)18-14(20)9-19-13-3-2-8-17-16(13)23-10-15(19)21/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyCDKJIDXOQTZBBC-UHFFFAOYSA-N
XLogP2.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 20889977) is N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)CSc3ncccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is CDKJIDXOQTZBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-12-6-4-11(5-7-12)18-14(20)9-19-13-3-2-8-17-16(13)23-10-15(19)21/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 329.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 20889977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).