4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one

C23H25N5O2S — CID 110250541

IUPAC4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one
SMILESCCN1CCN(C(=O)Cc2nnc(N)s2)C(Cc2cccc(-c3ccccc3)c2)C1=O
InChIInChI=1S/C23H25N5O2S/c1-2-27-11-12-28(21(29)15-20-25-26-23(24)31-20)19(22(27)30)14-16-7-6-10-18(13-16)17-8-4-3-5-9-17/h3-10,13,19H,2,11-12,14-15H2,1H3,(H2,24,26)
InChIKeyGWYRWGVFCCQRSB-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.63
Rot. Bonds6

About 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one

4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one (PubChem CID 110250541) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one
PubChem CID110250541
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC Name4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one
SMILESCCN1CCN(C(=O)Cc2nnc(N)s2)C(Cc2cccc(-c3ccccc3)c2)C1=O
InChIInChI=1S/C23H25N5O2S/c1-2-27-11-12-28(21(29)15-20-25-26-23(24)31-20)19(22(27)30)14-16-7-6-10-18(13-16)17-8-4-3-5-9-17/h3-10,13,19H,2,11-12,14-15H2,1H3,(H2,24,26)
InChIKeyGWYRWGVFCCQRSB-UHFFFAOYSA-N
XLogP2.63
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one 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 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one (CID 110250541) is 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one is CCN1CCN(C(=O)Cc2nnc(N)s2)C(Cc2cccc(-c3ccccc3)c2)C1=O.
What is the InChIKey of 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one?
The InChIKey is GWYRWGVFCCQRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-2-27-11-12-28(21(29)15-20-25-26-23(24)31-20)19(22(27)30)14-16-7-6-10-18(13-16)17-8-4-3-5-9-17/h3-10,13,19H,2,11-12,14-15H2,1H3,(H2,24,26).
What are the key properties of 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one?
4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one has a molecular weight of 435.55 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-1,3,4-thiadiazol-2-yl)acetyl]-1-ethyl-3-[(3-phenylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 110250541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).