2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C22H21N7OS — CID 133455547

IUPAC2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)Nc1nncs1
InChIInChI=1S/C22H21N7OS/c30-19(25-22-27-23-15-31-22)14-28-10-12-29(13-11-28)21-24-18-9-5-4-8-17(18)20(26-21)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,25,27,30)
InChIKeyABNCRIOQOAGDCN-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.91
Rot. Bonds5

About 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 133455547) has the molecular formula C22H21N7OS and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID133455547
Molecular FormulaC22H21N7OS
Molecular Weight431.53 g/mol
Exact Mass431.15
IUPAC Name2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)Nc1nncs1
InChIInChI=1S/C22H21N7OS/c30-19(25-22-27-23-15-31-22)14-28-10-12-29(13-11-28)21-24-18-9-5-4-8-17(18)20(26-21)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,25,27,30)
InChIKeyABNCRIOQOAGDCN-UHFFFAOYSA-N
XLogP2.91
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 51119848
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133452114
2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455500
2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455494
2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455405
2-methyl-4-[[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 26033714
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455431
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200280
2-[4-(2-bromo-4-cyanophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455468
2-[ethyl-[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]amino]acetic acid
CID 122062292
2-[4-(5-chloro-2-cyanophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 133455547) is 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1)Nc1nncs1.
What is the InChIKey of 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ABNCRIOQOAGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7OS/c30-19(25-22-27-23-15-31-22)14-28-10-12-29(13-11-28)21-24-18-9-5-4-8-17(18)20(26-21)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,25,27,30).
What are the key properties of 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 431.53 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 133455547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).