N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

C17H23N3O2S — CID 98466113

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C17H23N3O2S/c1-11-5-3-6-13(12(11)2)19-15(21)9-20-14-7-4-8-18-17(14)23-10-16(20)22/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,19,21)/t11-,12+,13-/m1/s1
InChIKeyOUFINTQVLFBYEJ-FRRDWIJNSA-N
MW333.46 g/mol
LogP2.46
Rot. Bonds3

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 98466113) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID98466113
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1C(=O)CSc2ncccc21
InChIInChI=1S/C17H23N3O2S/c1-11-5-3-6-13(12(11)2)19-15(21)9-20-14-7-4-8-18-17(14)23-10-16(20)22/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,19,21)/t11-,12+,13-/m1/s1
InChIKeyOUFINTQVLFBYEJ-FRRDWIJNSA-N
XLogP2.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(1R,2S)-2-methylcyclohexyl]-2-[(6R)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]acetamide
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2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
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2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
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N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 98466113) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN1C(=O)CSc2ncccc21.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is OUFINTQVLFBYEJ-FRRDWIJNSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11-5-3-6-13(12(11)2)19-15(21)9-20-14-7-4-8-18-17(14)23-10-16(20)22/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3,(H,19,21)/t11-,12+,13-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 98466113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).