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

C17H18N4O2S — CID 53148529

IUPAC2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)CC1Sc2ncccc2N(C)C1=O)c1cccnc1
InChIInChI=1S/C17H18N4O2S/c1-11(12-5-3-7-18-10-12)20-15(22)9-14-17(23)21(2)13-6-4-8-19-16(13)24-14/h3-8,10-11,14H,9H2,1-2H3,(H,20,22)
InChIKeyMKTLOQJANFINMW-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.18
Rot. Bonds4

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

2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide (PubChem CID 53148529) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide
PubChem CID53148529
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide
SMILESCC(NC(=O)CC1Sc2ncccc2N(C)C1=O)c1cccnc1
InChIInChI=1S/C17H18N4O2S/c1-11(12-5-3-7-18-10-12)20-15(22)9-14-17(23)21(2)13-6-4-8-19-16(13)24-14/h3-8,10-11,14H,9H2,1-2H3,(H,20,22)
InChIKeyMKTLOQJANFINMW-UHFFFAOYSA-N
XLogP2.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-phenylethyl)acetamide
CID 53148542
2-[(3R)-1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95096841
2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096732
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096902
N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148522
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148497
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 16613109
(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 95096800
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
2-(cyclopentylamino)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404213

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide?
The IUPAC name of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide (CID 53148529) is 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide?
The canonical SMILES for 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide is CC(NC(=O)CC1Sc2ncccc2N(C)C1=O)c1cccnc1.
What is the InChIKey of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide?
The InChIKey is MKTLOQJANFINMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11(12-5-3-7-18-10-12)20-15(22)9-14-17(23)21(2)13-6-4-8-19-16(13)24-14/h3-8,10-11,14H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide?
2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(1-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 53148529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).