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

C16H12BrN3OS — CID 1307564

IUPACN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H12BrN3OS/c17-13-8-6-12(7-9-13)15-19-20-16(22-15)18-14(21)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20,21)
InChIKeyKWBDWJROOUQPDF-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.15
Rot. Bonds4

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

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 1307564) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
PubChem CID1307564
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H12BrN3OS/c17-13-8-6-12(7-9-13)15-19-20-16(22-15)18-14(21)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20,21)
InChIKeyKWBDWJROOUQPDF-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 4693045
2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174783755
N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 42736919
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729811
2-(3-bromo-4-fluorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 60526736
2-(4-bromophenyl)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320539
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-1-carboxamide
CID 23966330
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3984133
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881
2-phenyl-N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3770330

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 1307564) is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)s1.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
The InChIKey is KWBDWJROOUQPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-13-8-6-12(7-9-13)15-19-20-16(22-15)18-14(21)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,20,21).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 374.26 g/mol, XLogP of 4.15, 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-phenylacetamide is sourced from PubChem (CID 1307564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).