2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

C20H27N5O4S2 — CID 30865258

IUPAC2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCOc1ccccc1OCC(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1
InChIInChI=1S/C20H27N5O4S2/c1-14(2)21-17(26)13-30-20-23-22-19(31-20)25-10-8-24(9-11-25)18(27)12-29-16-7-5-4-6-15(16)28-3/h4-7,14H,8-13H2,1-3H3,(H,21,26)
InChIKeyDXGKQSGOIHSQMQ-UHFFFAOYSA-N
MW465.60 g/mol
LogP1.89
Rot. Bonds9

About 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 30865258) has the molecular formula C20H27N5O4S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID30865258
Molecular FormulaC20H27N5O4S2
Molecular Weight465.60 g/mol
Exact Mass465.15
IUPAC Name2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCOc1ccccc1OCC(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1
InChIInChI=1S/C20H27N5O4S2/c1-14(2)21-17(26)13-30-20-23-22-19(31-20)25-10-8-24(9-11-25)18(27)12-29-16-7-5-4-6-15(16)28-3/h4-7,14H,8-13H2,1-3H3,(H,21,26)
InChIKeyDXGKQSGOIHSQMQ-UHFFFAOYSA-N
XLogP1.89
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 121070091
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-[[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30863166
2-(2-methoxyphenoxy)-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 113074011
N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47945201
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108753458
N-(2,4-difluorophenyl)-2-[[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30863138
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
N-(2-methyl-4-oxopentan-3-yl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 86827419
1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 108729565
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide (CID 30865258) is 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is COc1ccccc1OCC(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1.
What is the InChIKey of 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is DXGKQSGOIHSQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S2/c1-14(2)21-17(26)13-30-20-23-22-19(31-20)25-10-8-24(9-11-25)18(27)12-29-16-7-5-4-6-15(16)28-3/h4-7,14H,8-13H2,1-3H3,(H,21,26).
What are the key properties of 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide?
2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 465.60 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 30865258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).