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

C14H16N4OS — CID 43981408

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2sc(C)c(C)c2C#N)n1
InChIInChI=1S/C14H16N4OS/c1-8-5-9(2)18(17-8)7-13(19)16-14-12(6-15)10(3)11(4)20-14/h5H,7H2,1-4H3,(H,16,19)
InChIKeyMRGQHEWBOHDIBC-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.69
Rot. Bonds3

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 43981408) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID43981408
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2sc(C)c(C)c2C#N)n1
InChIInChI=1S/C14H16N4OS/c1-8-5-9(2)18(17-8)7-13(19)16-14-12(6-15)10(3)11(4)20-14/h5H,7H2,1-4H3,(H,16,19)
InChIKeyMRGQHEWBOHDIBC-UHFFFAOYSA-N
XLogP2.69
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
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
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
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-thiophen-2-ylacetamide
CID 1247526
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872199
ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 19557462
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108804375
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685
2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 61111501
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 43981408) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2sc(C)c(C)c2C#N)n1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is MRGQHEWBOHDIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-8-5-9(2)18(17-8)7-13(19)16-14-12(6-15)10(3)11(4)20-14/h5H,7H2,1-4H3,(H,16,19).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 288.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 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-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 43981408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).