2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide

C21H25N3O2S — CID 20890160

IUPAC2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
SMILESCCC(Cc1ccccc1)NC(=O)CN1C(=O)CSc2nc(C)cc(C)c21
InChIInChI=1S/C21H25N3O2S/c1-4-17(11-16-8-6-5-7-9-16)23-18(25)12-24-19(26)13-27-21-20(24)14(2)10-15(3)22-21/h5-10,17H,4,11-13H2,1-3H3,(H,23,25)
InChIKeyYUSJTHBUCBGOPG-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.27
Rot. Bonds6

About 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide

2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide (PubChem CID 20890160) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
PubChem CID20890160
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
SMILESCCC(Cc1ccccc1)NC(=O)CN1C(=O)CSc2nc(C)cc(C)c21
InChIInChI=1S/C21H25N3O2S/c1-4-17(11-16-8-6-5-7-9-16)23-18(25)12-24-19(26)13-27-21-20(24)14(2)10-15(3)22-21/h5-10,17H,4,11-13H2,1-3H3,(H,23,25)
InChIKeyYUSJTHBUCBGOPG-UHFFFAOYSA-N
XLogP3.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide with MolForge

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Related Compounds

2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide
CID 20886069
N-cyclopropyl-2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20890135
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(1-phenylbutan-2-yl)acetamide
CID 122175920
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 20890169
2-(methylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766326
2-(cyclopropylmethylamino)-N-(1-phenylbutan-2-yl)acetamide
CID 119766334
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 8673616
[(2S)-1-phenylbutan-2-yl]urea
CID 7452634
3-methyl-N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 2226546
3-methyl-N-[(2R)-1-phenylbutan-2-yl]benzamide
CID 2226547

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide (CID 20890160) is 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide is CCC(Cc1ccccc1)NC(=O)CN1C(=O)CSc2nc(C)cc(C)c21.
What is the InChIKey of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide?
The InChIKey is YUSJTHBUCBGOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-4-17(11-16-8-6-5-7-9-16)23-18(25)12-24-19(26)13-27-21-20(24)14(2)10-15(3)22-21/h5-10,17H,4,11-13H2,1-3H3,(H,23,25).
What are the key properties of 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide?
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide has a molecular weight of 383.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 20890160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).