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

C17H23N5O2S — CID 17379713

IUPAC2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1cccc(CN2CCN(CC(=O)Nc3nnc(C)s3)CC2)c1
InChIInChI=1S/C17H23N5O2S/c1-13-19-20-17(25-13)18-16(23)12-22-8-6-21(7-9-22)11-14-4-3-5-15(10-14)24-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20,23)
InChIKeyHKSBAUAWBLUOBD-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.61
Rot. Bonds6

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

2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 17379713) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID17379713
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCOc1cccc(CN2CCN(CC(=O)Nc3nnc(C)s3)CC2)c1
InChIInChI=1S/C17H23N5O2S/c1-13-19-20-17(25-13)18-16(23)12-22-8-6-21(7-9-22)11-14-4-3-5-15(10-14)24-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20,23)
InChIKeyHKSBAUAWBLUOBD-UHFFFAOYSA-N
XLogP1.61
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195002
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22195848
N-(4-chlorophenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195037
2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 17281533
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
ethyl 4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17066457
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
propan-2-yl 2-[[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22195020
N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 35159364
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
N-(3-methoxyphenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337888
2-[4-(methoxymethyl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121091650

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 17379713) is 2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is COc1cccc(CN2CCN(CC(=O)Nc3nnc(C)s3)CC2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is HKSBAUAWBLUOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-13-19-20-17(25-13)18-16(23)12-22-8-6-21(7-9-22)11-14-4-3-5-15(10-14)24-2/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20,23).
What are the key properties of 2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 17379713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).