N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide

C13H14N4O2S — CID 976709

IUPACN-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cnsn1
InChIInChI=1S/C13H14N4O2S/c18-13(12-9-14-20-16-12)15-10-1-3-11(4-2-10)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H,15,18)
InChIKeyVAHYQQXXGYMEIG-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.63
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide

N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 976709) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID976709
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cnsn1
InChIInChI=1S/C13H14N4O2S/c18-13(12-9-14-20-16-12)15-10-1-3-11(4-2-10)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H,15,18)
InChIKeyVAHYQQXXGYMEIG-UHFFFAOYSA-N
XLogP1.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide (CID 976709) is N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cnsn1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is VAHYQQXXGYMEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-13(12-9-14-20-16-12)15-10-1-3-11(4-2-10)17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H,15,18).
What are the key properties of N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide?
N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 976709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).