N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide

C15H22N4OS — CID 63872199

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
SMILESCc1sc(NC(=O)CN2CC(C)NC(C)C2)c(C#N)c1C
InChIInChI=1S/C15H22N4OS/c1-9-6-19(7-10(2)17-9)8-14(20)18-15-13(5-16)11(3)12(4)21-15/h9-10,17H,6-8H2,1-4H3,(H,18,20)
InChIKeyIKEDQOQWFIIWAB-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.86
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide (PubChem CID 63872199) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
PubChem CID63872199
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
SMILESCc1sc(NC(=O)CN2CC(C)NC(C)C2)c(C#N)c1C
InChIInChI=1S/C15H22N4OS/c1-9-6-19(7-10(2)17-9)8-14(20)18-15-13(5-16)11(3)12(4)21-15/h9-10,17H,6-8H2,1-4H3,(H,18,20)
InChIKeyIKEDQOQWFIIWAB-UHFFFAOYSA-N
XLogP1.86
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410985
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 103576566
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 66291710
2-(4-aminopiperidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 43556496
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371217
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2-cyanopiperazin-1-yl)acetamide
CID 79094403
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43981408
5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide (CID 63872199) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide is Cc1sc(NC(=O)CN2CC(C)NC(C)C2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide?
The InChIKey is IKEDQOQWFIIWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9-6-19(7-10(2)17-9)8-14(20)18-15-13(5-16)11(3)12(4)21-15/h9-10,17H,6-8H2,1-4H3,(H,18,20).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide has a molecular weight of 306.44 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 63872199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).