2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C25H29N5O3S — CID 20972561

IUPAC2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4C)s3)CC2)c1
InChIInChI=1S/C25H29N5O3S/c1-17-8-9-19(3)21(14-17)33-16-23(32)30-12-10-29(11-13-30)15-22(31)26-25-28-27-24(34-25)20-7-5-4-6-18(20)2/h4-9,14H,10-13,15-16H2,1-3H3,(H,26,28,31)
InChIKeyBPAUOWMFOUAFLB-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.29
Rot. Bonds7

About 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 20972561) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID20972561
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4C)s3)CC2)c1
InChIInChI=1S/C25H29N5O3S/c1-17-8-9-19(3)21(14-17)33-16-23(32)30-12-10-29(11-13-30)15-22(31)26-25-28-27-24(34-25)20-7-5-4-6-18(20)2/h4-9,14H,10-13,15-16H2,1-3H3,(H,26,28,31)
InChIKeyBPAUOWMFOUAFLB-UHFFFAOYSA-N
XLogP3.29
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 50825654
2-[4-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31348908
2-(2,5-dimethylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2709451
2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021527
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
N-[5-[2-(4-fluorophenyl)phenyl]-1,3,4-thiadiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 35272165
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 8918792
2-(2-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297256
N-benzyl-2-[4-[3-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 30456737
N-(2,6-dimethylphenyl)-2-[4-[2-(2-formylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 30834010
2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139565233
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 37132587

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 20972561) is 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccc(C)c(OCC(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4C)s3)CC2)c1.
What is the InChIKey of 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is BPAUOWMFOUAFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-17-8-9-19(3)21(14-17)33-16-23(32)30-12-10-29(11-13-30)15-22(31)26-25-28-27-24(34-25)20-7-5-4-6-18(20)2/h4-9,14H,10-13,15-16H2,1-3H3,(H,26,28,31).
What are the key properties of 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 479.61 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 20972561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).