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

C13H14BrN3O2S — CID 990576

IUPACN-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cccc(Br)c2)S1
InChIInChI=1S/C13H14BrN3O2S/c1-8(18)15-12-16-17(9(2)19)13(3,20-12)10-5-4-6-11(14)7-10/h4-7H,1-3H3,(H,15,16,18)/t13-/m1/s1
InChIKeyQVNUJARFHZGMDY-CYBMUJFWSA-N
MW356.25 g/mol
LogP2.62
Rot. Bonds1

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

N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 990576) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID990576
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC NameN-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cccc(Br)c2)S1
InChIInChI=1S/C13H14BrN3O2S/c1-8(18)15-12-16-17(9(2)19)13(3,20-12)10-5-4-6-11(14)7-10/h4-7H,1-3H3,(H,15,16,18)/t13-/m1/s1
InChIKeyQVNUJARFHZGMDY-CYBMUJFWSA-N
XLogP2.62
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide (CID 990576) is N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2cccc(Br)c2)S1.
What is the InChIKey of N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QVNUJARFHZGMDY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-8(18)15-12-16-17(9(2)19)13(3,20-12)10-5-4-6-11(14)7-10/h4-7H,1-3H3,(H,15,16,18)/t13-/m1/s1.
What are the key properties of N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide?
N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 356.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-4-acetyl-5-(3-bromophenyl)-5-methyl-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 990576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).