N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide

C13H12N2OS2 — CID 1244008

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cs1
InChIInChI=1S/C13H12N2OS2/c1-7-4-10(6-17-7)12(16)15-13-11(5-14)8(2)9(3)18-13/h4,6H,1-3H3,(H,15,16)
InChIKeyHSOLXLOCIQSUKA-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.86
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide (PubChem CID 1244008) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide
PubChem CID1244008
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cs1
InChIInChI=1S/C13H12N2OS2/c1-7-4-10(6-17-7)12(16)15-13-11(5-14)8(2)9(3)18-13/h4,6H,1-3H3,(H,15,16)
InChIKeyHSOLXLOCIQSUKA-UHFFFAOYSA-N
XLogP3.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2971411
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CID 839896
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CID 655690
CID 655690
CID 829012
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CID 1247101
CID 1247101
CID 2971094
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CID 44431823
CID 44431823
CID 673517
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CID 40805001
CID 40805001
CID 24901561
CID 24901561

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide (CID 1244008) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)cs1.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is HSOLXLOCIQSUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-7-4-10(6-17-7)12(16)15-13-11(5-14)8(2)9(3)18-13/h4,6H,1-3H3,(H,15,16).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 276.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 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)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1244008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).