2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide

C16H14N4O2S — CID 3405175

IUPAC2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NN=Cc1ccccn1
InChIInChI=1S/C16H14N4O2S/c21-15(20-18-10-11-5-3-4-8-17-11)9-14-16(22)19-12-6-1-2-7-13(12)23-14/h1-8,10,14H,9H2,(H,19,22)(H,20,21)
InChIKeyQRJQPBVAEUACRO-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.03
Rot. Bonds4

About 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide (PubChem CID 3405175) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide
PubChem CID3405175
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NN=Cc1ccccn1
InChIInChI=1S/C16H14N4O2S/c21-15(20-18-10-11-5-3-4-8-17-11)9-14-16(22)19-12-6-1-2-7-13(12)23-14/h1-8,10,14H,9H2,(H,19,22)(H,20,21)
InChIKeyQRJQPBVAEUACRO-UHFFFAOYSA-N
XLogP2.03
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7347926
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 93116086
N-[(E)-(2,5-dimethylphenyl)methylideneamino]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 42666514
3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide
CID 47034434
tert-butyl [4-[(E)-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]hydrazinylidene]methyl]phenyl] carbonate
CID 45108925
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide
CID 11837212
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide?
The IUPAC name of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide (CID 3405175) is 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide is O=C(CC1Sc2ccccc2NC1=O)NN=Cc1ccccn1.
What is the InChIKey of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide?
The InChIKey is QRJQPBVAEUACRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-15(20-18-10-11-5-3-4-8-17-11)9-14-16(22)19-12-6-1-2-7-13(12)23-14/h1-8,10,14H,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide?
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide is sourced from PubChem (CID 3405175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).