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

C18H25N5O2S — CID 6469564

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(Cc3cccc(OC)c3)CC2)s1
InChIInChI=1S/C18H25N5O2S/c1-3-17-20-21-18(26-17)19-16(24)13-23-9-7-22(8-10-23)12-14-5-4-6-15(11-14)25-2/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,19,21,24)
InChIKeyNWHFIWGWSOFDCX-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.87
Rot. Bonds7

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 6469564) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID6469564
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCc1nnc(NC(=O)CN2CCN(Cc3cccc(OC)c3)CC2)s1
InChIInChI=1S/C18H25N5O2S/c1-3-17-20-21-18(26-17)19-16(24)13-23-9-7-22(8-10-23)12-14-5-4-6-15(11-14)25-2/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,19,21,24)
InChIKeyNWHFIWGWSOFDCX-UHFFFAOYSA-N
XLogP1.87
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 6469564) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide is CCc1nnc(NC(=O)CN2CCN(Cc3cccc(OC)c3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is NWHFIWGWSOFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-3-17-20-21-18(26-17)19-16(24)13-23-9-7-22(8-10-23)12-14-5-4-6-15(11-14)25-2/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,19,21,24).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 375.50 g/mol, XLogP of 1.87, 7 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)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 6469564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).