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

C16H11BrFN3OS — CID 16813986

IUPACN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H11BrFN3OS/c17-12-5-3-11(4-6-12)15-20-21-16(23-15)19-14(22)9-10-1-7-13(18)8-2-10/h1-8H,9H2,(H,19,21,22)
InChIKeyVDDYLLXNCKQWOV-UHFFFAOYSA-N
MW392.25 g/mol
LogP4.29
Rot. Bonds4

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

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 16813986) has the molecular formula C16H11BrFN3OS and a molecular weight of 392.25 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID16813986
Molecular FormulaC16H11BrFN3OS
Molecular Weight392.25 g/mol
Exact Mass390.98
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H11BrFN3OS/c17-12-5-3-11(4-6-12)15-20-21-16(23-15)19-14(22)9-10-1-7-13(18)8-2-10/h1-8H,9H2,(H,19,21,22)
InChIKeyVDDYLLXNCKQWOV-UHFFFAOYSA-N
XLogP4.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 16813986) is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(Br)cc2)s1.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is VDDYLLXNCKQWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3OS/c17-12-5-3-11(4-6-12)15-20-21-16(23-15)19-14(22)9-10-1-7-13(18)8-2-10/h1-8H,9H2,(H,19,21,22).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 392.25 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16813986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).