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

C11H11FN4O3S2 — CID 122133752

IUPAC2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)Cc2ccccc2F)s1
InChIInChI=1S/C11H11FN4O3S2/c1-21(18,19)16-11-15-14-10(20-11)13-9(17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyHSYDEBHXCQJZPB-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.23
Rot. Bonds5

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

2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 122133752) has the molecular formula C11H11FN4O3S2 and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID122133752
Molecular FormulaC11H11FN4O3S2
Molecular Weight330.37 g/mol
Exact Mass330.03
IUPAC Name2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)Cc2ccccc2F)s1
InChIInChI=1S/C11H11FN4O3S2/c1-21(18,19)16-11-15-14-10(20-11)13-9(17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyHSYDEBHXCQJZPB-UHFFFAOYSA-N
XLogP1.23
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide (CID 122133752) is 2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide is CS(=O)(=O)Nc1nnc(NC(=O)Cc2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is HSYDEBHXCQJZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3S2/c1-21(18,19)16-11-15-14-10(20-11)13-9(17)6-7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 330.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 122133752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).