N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C9H14N4O5S2 — CID 106102952

IUPACN-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCC2(O)CCOC2)s1
InChIInChI=1S/C9H14N4O5S2/c1-6(14)11-7-12-13-8(19-7)20(16,17)10-4-9(15)2-3-18-5-9/h10,15H,2-5H2,1H3,(H,11,12,14)
InChIKeyUPPDVKXJDUDGKB-UHFFFAOYSA-N
MW322.37 g/mol
LogP-1.07
Rot. Bonds5

About N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 106102952) has the molecular formula C9H14N4O5S2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID106102952
Molecular FormulaC9H14N4O5S2
Molecular Weight322.37 g/mol
Exact Mass322.04
IUPAC NameN-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCC2(O)CCOC2)s1
InChIInChI=1S/C9H14N4O5S2/c1-6(14)11-7-12-13-8(19-7)20(16,17)10-4-9(15)2-3-18-5-9/h10,15H,2-5H2,1H3,(H,11,12,14)
InChIKeyUPPDVKXJDUDGKB-UHFFFAOYSA-N
XLogP-1.07
TPSA130.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 106102952) is N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCC2(O)CCOC2)s1.
What is the InChIKey of N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is UPPDVKXJDUDGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5S2/c1-6(14)11-7-12-13-8(19-7)20(16,17)10-4-9(15)2-3-18-5-9/h10,15H,2-5H2,1H3,(H,11,12,14).
What are the key properties of N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 322.37 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 106102952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).