N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide

C19H27N5O2S — CID 133358321

IUPACN-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide
SMILESCOCCc1nsc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1
InChIInChI=1S/C19H27N5O2S/c1-14-5-4-6-15(2)18(14)21-17(25)13-23-8-10-24(11-9-23)19-20-16(22-27-19)7-12-26-3/h4-6H,7-13H2,1-3H3,(H,21,25)
InChIKeyXWWXACLUSNZDLO-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.10
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide (PubChem CID 133358321) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide
PubChem CID133358321
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide
SMILESCOCCc1nsc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1
InChIInChI=1S/C19H27N5O2S/c1-14-5-4-6-15(2)18(14)21-17(25)13-23-8-10-24(11-9-23)19-20-16(22-27-19)7-12-26-3/h4-6H,7-13H2,1-3H3,(H,21,25)
InChIKeyXWWXACLUSNZDLO-UHFFFAOYSA-N
XLogP2.10
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide (CID 133358321) is N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide is COCCc1nsc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide?
The InChIKey is XWWXACLUSNZDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-14-5-4-6-15(2)18(14)21-17(25)13-23-8-10-24(11-9-23)19-20-16(22-27-19)7-12-26-3/h4-6H,7-13H2,1-3H3,(H,21,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide has a molecular weight of 389.53 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 133358321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).