1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide

C16H22N4O2S — CID 155721935

IUPAC1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESC1CCC2(CC1)CN2.NC(=O)CC1Sc2ncccc2NC1=O
InChIInChI=1S/C9H9N3O2S.C7H13N/c10-7(13)4-6-8(14)12-5-2-1-3-11-9(5)15-6;1-2-4-7(5-3-1)6-8-7/h1-3,6H,4H2,(H2,10,13)(H,12,14);8H,1-6H2
InChIKeyDMSGFUIVRLOVGS-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.66
Rot. Bonds2

About 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide

1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide (PubChem CID 155721935) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide.

Molecular Properties

Compound Name1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
PubChem CID155721935
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESC1CCC2(CC1)CN2.NC(=O)CC1Sc2ncccc2NC1=O
InChIInChI=1S/C9H9N3O2S.C7H13N/c10-7(13)4-6-8(14)12-5-2-1-3-11-9(5)15-6;1-2-4-7(5-3-1)6-8-7/h1-3,6H,4H2,(H2,10,13)(H,12,14);8H,1-6H2
InChIKeyDMSGFUIVRLOVGS-UHFFFAOYSA-N
XLogP1.66
TPSA107.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 155298451
ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate
CID 91926046
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 693708
3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
CID 126477073
2-(6-chloro-2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetic acid
CID 13397039
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 95580312
2-oxo-3,4-dihydro-1H-1,5-naphthyridine-3-carboxamide
CID 141006823
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 2622214
3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 15633560
N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
CID 167555825

Frequently Asked Questions

What is the IUPAC name of 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The IUPAC name of 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide (CID 155721935) is 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide.
What is the SMILES notation for 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The canonical SMILES for 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide is C1CCC2(CC1)CN2.NC(=O)CC1Sc2ncccc2NC1=O.
What is the InChIKey of 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The InChIKey is DMSGFUIVRLOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S.C7H13N/c10-7(13)4-6-8(14)12-5-2-1-3-11-9(5)15-6;1-2-4-7(5-3-1)6-8-7/h1-3,6H,4H2,(H2,10,13)(H,12,14);8H,1-6H2.
What are the key properties of 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide has a molecular weight of 334.45 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide is sourced from PubChem (CID 155721935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).