N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide

C18H19N3O2S — CID 6625425

IUPACN-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CSc2ncccc21)NCc1ccccc1
InChIInChI=1S/C18H19N3O2S/c22-16(20-12-14-6-2-1-3-7-14)9-5-11-21-15-8-4-10-19-18(15)24-13-17(21)23/h1-4,6-8,10H,5,9,11-13H2,(H,20,22)
InChIKeyBMNOZFBGGYNIII-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.62
Rot. Bonds6

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

N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide (PubChem CID 6625425) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
PubChem CID6625425
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
SMILESO=C(CCCN1C(=O)CSc2ncccc21)NCc1ccccc1
InChIInChI=1S/C18H19N3O2S/c22-16(20-12-14-6-2-1-3-7-14)9-5-11-21-15-8-4-10-19-18(15)24-13-17(21)23/h1-4,6-8,10H,5,9,11-13H2,(H,20,22)
InChIKeyBMNOZFBGGYNIII-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoic acid
CID 53212616
N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
CID 20890074
4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 46261547
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 20886493
ethyl 4-[4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanoylamino]piperidine-1-carboxylate
CID 3245176
N-benzyl-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide
CID 6625355
1-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 20890056
1-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 50758317
N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
CID 46277515
N-[(4-ethylphenyl)methyl]-4-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)butanamide
CID 20947816
4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46277509
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide?
The IUPAC name of N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide (CID 6625425) is N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide.
What is the SMILES notation for N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide?
The canonical SMILES for N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide is O=C(CCCN1C(=O)CSc2ncccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide?
The InChIKey is BMNOZFBGGYNIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16(20-12-14-6-2-1-3-7-14)9-5-11-21-15-8-4-10-19-18(15)24-13-17(21)23/h1-4,6-8,10H,5,9,11-13H2,(H,20,22).
What are the key properties of N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide?
N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide has a molecular weight of 341.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide is sourced from PubChem (CID 6625425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).