2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide

C9H7N3OS — CID 12526029

IUPAC2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide
SMILESCc1csc(NC(=O)CC#N)c1C#N
InChIInChI=1S/C9H7N3OS/c1-6-5-14-9(7(6)4-11)12-8(13)2-3-10/h5H,2H2,1H3,(H,12,13)
InChIKeyGCWYRMPTZREEFF-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.78
Rot. Bonds2

About 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide

2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide (PubChem CID 12526029) has the molecular formula C9H7N3OS and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide
PubChem CID12526029
Molecular FormulaC9H7N3OS
Molecular Weight205.24 g/mol
Exact Mass205.03
IUPAC Name2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide
SMILESCc1csc(NC(=O)CC#N)c1C#N
InChIInChI=1S/C9H7N3OS/c1-6-5-14-9(7(6)4-11)12-8(13)2-3-10/h5H,2H2,1H3,(H,12,13)
InChIKeyGCWYRMPTZREEFF-UHFFFAOYSA-N
XLogP1.78
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide
CID 46731752
ethyl (Z)-2-cyano-3-[(3-cyano-4-methylthiophen-2-yl)amino]prop-2-enoate
CID 6375152
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
CID 168523333
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
2-cyano-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3634082
N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
CID 168523742
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide?
The IUPAC name of 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide (CID 12526029) is 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide is Cc1csc(NC(=O)CC#N)c1C#N.
What is the InChIKey of 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide?
The InChIKey is GCWYRMPTZREEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3OS/c1-6-5-14-9(7(6)4-11)12-8(13)2-3-10/h5H,2H2,1H3,(H,12,13).
What are the key properties of 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide?
2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide has a molecular weight of 205.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide is sourced from PubChem (CID 12526029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).