N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide

C15H12N6O4S — CID 153385512

IUPACN-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccon1)NC(=O)c1nsnc1-c1ccccn1
InChIInChI=1S/C15H12N6O4S/c16-14(23)13(22)10(7-8-4-6-25-19-8)18-15(24)12-11(20-26-21-12)9-3-1-2-5-17-9/h1-6,10H,7H2,(H2,16,23)(H,18,24)
InChIKeySRCFCIJKZOWOBC-UHFFFAOYSA-N
MW372.37 g/mol
LogP-0.02
Rot. Bonds7

About N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide

N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 153385512) has the molecular formula C15H12N6O4S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
PubChem CID153385512
Molecular FormulaC15H12N6O4S
Molecular Weight372.37 g/mol
Exact Mass372.06
IUPAC NameN-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccon1)NC(=O)c1nsnc1-c1ccccn1
InChIInChI=1S/C15H12N6O4S/c16-14(23)13(22)10(7-8-4-6-25-19-8)18-15(24)12-11(20-26-21-12)9-3-1-2-5-17-9/h1-6,10H,7H2,(H2,16,23)(H,18,24)
InChIKeySRCFCIJKZOWOBC-UHFFFAOYSA-N
XLogP-0.02
TPSA153.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide (CID 153385512) is N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide is NC(=O)C(=O)C(Cc1ccon1)NC(=O)c1nsnc1-c1ccccn1.
What is the InChIKey of N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is SRCFCIJKZOWOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O4S/c16-14(23)13(22)10(7-8-4-6-25-19-8)18-15(24)12-11(20-26-21-12)9-3-1-2-5-17-9/h1-6,10H,7H2,(H2,16,23)(H,18,24).
What are the key properties of N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide?
N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 372.37 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 153385512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).