2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

C13H23N5OS2 — CID 65463198

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CN2CCNCC2(C)C)n1
InChIInChI=1S/C13H23N5OS2/c1-4-7-20-12-16-11(21-17-12)15-10(19)8-18-6-5-14-9-13(18,2)3/h14H,4-9H2,1-3H3,(H,15,16,17,19)
InChIKeyBWZOCMYFOFQGKY-UHFFFAOYSA-N
MW329.50 g/mol
LogP1.66
Rot. Bonds6

About 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 65463198) has the molecular formula C13H23N5OS2 and a molecular weight of 329.50 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID65463198
Molecular FormulaC13H23N5OS2
Molecular Weight329.50 g/mol
Exact Mass329.13
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CN2CCNCC2(C)C)n1
InChIInChI=1S/C13H23N5OS2/c1-4-7-20-12-16-11(21-17-12)15-10(19)8-18-6-5-14-9-13(18,2)3/h14H,4-9H2,1-3H3,(H,15,16,17,19)
InChIKeyBWZOCMYFOFQGKY-UHFFFAOYSA-N
XLogP1.66
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.50
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (CID 65463198) is 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is CCCSc1nsc(NC(=O)CN2CCNCC2(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is BWZOCMYFOFQGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS2/c1-4-7-20-12-16-11(21-17-12)15-10(19)8-18-6-5-14-9-13(18,2)3/h14H,4-9H2,1-3H3,(H,15,16,17,19).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 329.50 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 65463198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).