N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide

C14H16N6O4S — CID 51352448

IUPACN-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESCN1C(N)=N[C@](C)(c2cncc(NC(=O)c3ccon3)c2)CS1(=O)=O
InChIInChI=1S/C14H16N6O4S/c1-14(8-25(22,23)20(2)13(15)18-14)9-5-10(7-16-6-9)17-12(21)11-3-4-24-19-11/h3-7H,8H2,1-2H3,(H2,15,18)(H,17,21)/t14-/m0/s1
InChIKeyGPMOJBASKDHOGY-AWEZNQCLSA-N
MW364.39 g/mol
LogP0.13
Rot. Bonds3

About N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide

N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide (PubChem CID 51352448) has the molecular formula C14H16N6O4S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide
PubChem CID51352448
Molecular FormulaC14H16N6O4S
Molecular Weight364.39 g/mol
Exact Mass364.10
IUPAC NameN-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESCN1C(N)=N[C@](C)(c2cncc(NC(=O)c3ccon3)c2)CS1(=O)=O
InChIInChI=1S/C14H16N6O4S/c1-14(8-25(22,23)20(2)13(15)18-14)9-5-10(7-16-6-9)17-12(21)11-3-4-24-19-11/h3-7H,8H2,1-2H3,(H2,15,18)(H,17,21)/t14-/m0/s1
InChIKeyGPMOJBASKDHOGY-AWEZNQCLSA-N
XLogP0.13
TPSA143.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide (CID 51352448) is N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide is CN1C(N)=N[C@](C)(c2cncc(NC(=O)c3ccon3)c2)CS1(=O)=O.
What is the InChIKey of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GPMOJBASKDHOGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N6O4S/c1-14(8-25(22,23)20(2)13(15)18-14)9-5-10(7-16-6-9)17-12(21)11-3-4-24-19-11/h3-7H,8H2,1-2H3,(H2,15,18)(H,17,21)/t14-/m0/s1.
What are the key properties of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide?
N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51352448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).