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

C17H23N5O2S — CID 1452080

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(c3cccc(OC)c3)CC2)s1
InChIInChI=1S/C17H23N5O2S/c1-3-16-19-20-17(25-16)18-15(23)12-21-7-9-22(10-8-21)13-5-4-6-14(11-13)24-2/h4-6,11H,3,7-10,12H2,1-2H3,(H,18,20,23)
InChIKeyNCTFYAAUCBUHSX-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.87
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 1452080) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID1452080
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(c3cccc(OC)c3)CC2)s1
InChIInChI=1S/C17H23N5O2S/c1-3-16-19-20-17(25-16)18-15(23)12-21-7-9-22(10-8-21)13-5-4-6-14(11-13)24-2/h4-6,11H,3,7-10,12H2,1-2H3,(H,18,20,23)
InChIKeyNCTFYAAUCBUHSX-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 645405
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 648805
2-(5-{[(3-methoxyphenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
CID 1075852
1-(3-Methoxyphenyl)-3-[5-(2-methyl-1-piperidinyl)-1,3,4-thiadiazol-2-yl]urea
CID 3457780
N-[5-(2,6-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(3-methoxyphenyl)urea
CID 4295383
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-acetamide
CID 6603474
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 16192742
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 3253725
1-(5-Benzyl-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea
CID 948958
N-benzyl-2-(5-{[(3-methoxyphenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)acetamide
CID 1075871
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 646185
2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-N-(5-phenyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 645044

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (CID 1452080) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is CCc1nnc(NC(=O)CN2CCN(c3cccc(OC)c3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is NCTFYAAUCBUHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-3-16-19-20-17(25-16)18-15(23)12-21-7-9-22(10-8-21)13-5-4-6-14(11-13)24-2/h4-6,11H,3,7-10,12H2,1-2H3,(H,18,20,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1452080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).