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

C23H25N5O3S — CID 50825654

IUPACN-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
SMILESCc1cccc(-c2nnc(NC(=O)CN3CCN(C(=O)COc4ccccc4)CC3)s2)c1
InChIInChI=1S/C23H25N5O3S/c1-17-6-5-7-18(14-17)22-25-26-23(32-22)24-20(29)15-27-10-12-28(13-11-27)21(30)16-31-19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3,(H,24,26,29)
InChIKeyKRRXMCZPEINWDY-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.68
Rot. Bonds7

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

N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide (PubChem CID 50825654) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
PubChem CID50825654
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
SMILESCc1cccc(-c2nnc(NC(=O)CN3CCN(C(=O)COc4ccccc4)CC3)s2)c1
InChIInChI=1S/C23H25N5O3S/c1-17-6-5-7-18(14-17)22-25-26-23(32-22)24-20(29)15-27-10-12-28(13-11-27)21(30)16-31-19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3,(H,24,26,29)
InChIKeyKRRXMCZPEINWDY-UHFFFAOYSA-N
XLogP2.68
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 20972561
2-[4-(3-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 50825683
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813917
2-(3-methylphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30463181
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20972511
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 8505748
2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanethioamide
CID 63336504
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3568652
ethyl 2-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 7163724

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide (CID 50825654) is N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide is Cc1cccc(-c2nnc(NC(=O)CN3CCN(C(=O)COc4ccccc4)CC3)s2)c1.
What is the InChIKey of N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
The InChIKey is KRRXMCZPEINWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-17-6-5-7-18(14-17)22-25-26-23(32-22)24-20(29)15-27-10-12-28(13-11-27)21(30)16-31-19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3,(H,24,26,29).
What are the key properties of N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide?
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide has a molecular weight of 451.55 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 50825654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).