N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C10H10FN5O3S2 — CID 107334241

IUPACN-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(N)cc(F)c2)s1
InChIInChI=1S/C10H10FN5O3S2/c1-5(17)13-9-14-15-10(20-9)21(18,19)16-8-3-6(11)2-7(12)4-8/h2-4,16H,12H2,1H3,(H,13,14,17)
InChIKeyMUXHVTZZTOGAIT-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.02
Rot. Bonds4

About N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 107334241) has the molecular formula C10H10FN5O3S2 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID107334241
Molecular FormulaC10H10FN5O3S2
Molecular Weight331.35 g/mol
Exact Mass331.02
IUPAC NameN-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)Nc2cc(N)cc(F)c2)s1
InChIInChI=1S/C10H10FN5O3S2/c1-5(17)13-9-14-15-10(20-9)21(18,19)16-8-3-6(11)2-7(12)4-8/h2-4,16H,12H2,1H3,(H,13,14,17)
InChIKeyMUXHVTZZTOGAIT-UHFFFAOYSA-N
XLogP1.02
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 107334241) is N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)Nc2cc(N)cc(F)c2)s1.
What is the InChIKey of N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MUXHVTZZTOGAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O3S2/c1-5(17)13-9-14-15-10(20-9)21(18,19)16-8-3-6(11)2-7(12)4-8/h2-4,16H,12H2,1H3,(H,13,14,17).
What are the key properties of N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 331.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 107334241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).