N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide

C24H29N5O2S — CID 42775255

IUPACN-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1
InChIInChI=1S/C24H29N5O2S/c30-23(19-31-18-21-9-5-2-6-10-21)25-11-12-28-13-15-29(16-14-28)24-26-22(27-32-24)17-20-7-3-1-4-8-20/h1-10H,11-19H2,(H,25,30)
InChIKeyNOCKJGMRWHFUNO-UHFFFAOYSA-N
MW451.60 g/mol
LogP2.58
Rot. Bonds10

About N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide

N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide (PubChem CID 42775255) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide
PubChem CID42775255
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC NameN-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1
InChIInChI=1S/C24H29N5O2S/c30-23(19-31-18-21-9-5-2-6-10-21)25-11-12-28-13-15-29(16-14-28)24-26-22(27-32-24)17-20-7-3-1-4-8-20/h1-10H,11-19H2,(H,25,30)
InChIKeyNOCKJGMRWHFUNO-UHFFFAOYSA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide
CID 3888507
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-fluorobenzamide
CID 3935869
1-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-3-(4-ethylphenyl)urea
CID 5027568
N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide
CID 4041282
1-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-3-phenylurea
CID 3886230
2-chloro-N-[2-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]benzamide
CID 3341589
2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanamine
CID 811229
N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2-phenylbutanamide
CID 3418372
N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide
CID 5141129
N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]hexanamide
CID 5196028
N-[2-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
CID 3926897
N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-phenoxyacetamide
CID 4675539

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide (CID 42775255) is N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)NCCN1CCN(c2nc(Cc3ccccc3)ns2)CC1.
What is the InChIKey of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide?
The InChIKey is NOCKJGMRWHFUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c30-23(19-31-18-21-9-5-2-6-10-21)25-11-12-28-13-15-29(16-14-28)24-26-22(27-32-24)17-20-7-3-1-4-8-20/h1-10H,11-19H2,(H,25,30).
What are the key properties of N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide?
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide has a molecular weight of 451.60 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 42775255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).