N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide

C16H20FN3O2S — CID 155298451

IUPACN-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESO=C(CC1Sc2ncccc2NC1=O)NCC1(F)CCCCC1
InChIInChI=1S/C16H20FN3O2S/c17-16(6-2-1-3-7-16)10-19-13(21)9-12-14(22)20-11-5-4-8-18-15(11)23-12/h4-5,8,12H,1-3,6-7,9-10H2,(H,19,21)(H,20,22)
InChIKeyVPBIRRIYJXIQOE-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.67
Rot. Bonds4

About N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide

N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide (PubChem CID 155298451) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
PubChem CID155298451
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC NameN-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
SMILESO=C(CC1Sc2ncccc2NC1=O)NCC1(F)CCCCC1
InChIInChI=1S/C16H20FN3O2S/c17-16(6-2-1-3-7-16)10-19-13(21)9-12-14(22)20-11-5-4-8-18-15(11)23-12/h4-5,8,12H,1-3,6-7,9-10H2,(H,19,21)(H,20,22)
InChIKeyVPBIRRIYJXIQOE-UHFFFAOYSA-N
XLogP2.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide with MolForge

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Related Compounds

1-azaspiro[2.5]octane;2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 155721935
ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate
CID 91926046
N-[(4,4-difluorocyclohexyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
CID 167589020
N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
CID 167555825
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide
CID 47034434
2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 167637271
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
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55584393
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyridin-3-ylacetamide
CID 11837209
3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
CID 126477073

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The IUPAC name of N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide (CID 155298451) is N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide.
What is the SMILES notation for N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The canonical SMILES for N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide is O=C(CC1Sc2ncccc2NC1=O)NCC1(F)CCCCC1.
What is the InChIKey of N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
The InChIKey is VPBIRRIYJXIQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c17-16(6-2-1-3-7-16)10-19-13(21)9-12-14(22)20-11-5-4-8-18-15(11)23-12/h4-5,8,12H,1-3,6-7,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide?
N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide is sourced from PubChem (CID 155298451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).