N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide

C12H17N3OS — CID 55122081

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C12H17N3OS/c1-7-8(2)17-10(9(7)6-13)15-11(16)12(3,4)14-5/h14H,1-5H3,(H,15,16)
InChIKeyITLAGBAKZJAGBG-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.17
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide (PubChem CID 55122081) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide
PubChem CID55122081
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C12H17N3OS/c1-7-8(2)17-10(9(7)6-13)15-11(16)12(3,4)14-5/h14H,1-5H3,(H,15,16)
InChIKeyITLAGBAKZJAGBG-UHFFFAOYSA-N
XLogP2.17
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,2,2-trifluoroacetamide
CID 903532
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-ethylbutanamide
CID 79812801
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methylpentanamide
CID 61254032
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
2-(tert-butylamino)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78908823
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methylbut-2-enamide
CID 30659767
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
(2S)-2-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 42352885
4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496468
1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
CID 65464284
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820896

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide (CID 55122081) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide?
The InChIKey is ITLAGBAKZJAGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-8(2)17-10(9(7)6-13)15-11(16)12(3,4)14-5/h14H,1-5H3,(H,15,16).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide has a molecular weight of 251.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 55122081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).