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

C12H21N5OS2 — CID 62672812

IUPAC2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CN2CCNCC2C)n1
InChIInChI=1S/C12H21N5OS2/c1-3-6-19-12-15-11(20-16-12)14-10(18)8-17-5-4-13-7-9(17)2/h9,13H,3-8H2,1-2H3,(H,14,15,16,18)
InChIKeyOSMDRDBOPXHFLK-UHFFFAOYSA-N
MW315.47 g/mol
LogP1.27
Rot. Bonds6

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

2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 62672812) has the molecular formula C12H21N5OS2 and a molecular weight of 315.47 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID62672812
Molecular FormulaC12H21N5OS2
Molecular Weight315.47 g/mol
Exact Mass315.12
IUPAC Name2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)CN2CCNCC2C)n1
InChIInChI=1S/C12H21N5OS2/c1-3-6-19-12-15-11(20-16-12)14-10(18)8-17-5-4-13-7-9(17)2/h9,13H,3-8H2,1-2H3,(H,14,15,16,18)
InChIKeyOSMDRDBOPXHFLK-UHFFFAOYSA-N
XLogP1.27
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 65463198
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62021174
2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 63282354
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103577112
2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]acetic acid
CID 43466001
(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 130612870
2-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
2-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 81227681
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 66214373
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (CID 62672812) is 2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is CCCSc1nsc(NC(=O)CN2CCNCC2C)n1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is OSMDRDBOPXHFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS2/c1-3-6-19-12-15-11(20-16-12)14-10(18)8-17-5-4-13-7-9(17)2/h9,13H,3-8H2,1-2H3,(H,14,15,16,18).
What are the key properties of 2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 315.47 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 62672812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).