2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide

C8H7ClN2OS — CID 130610634

IUPAC2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide
SMILESCc1csc(Cl)c1C(=O)NCC#N
InChIInChI=1S/C8H7ClN2OS/c1-5-4-13-7(9)6(5)8(12)11-3-2-10/h4H,3H2,1H3,(H,11,12)
InChIKeyGKJPXGHPJCWQEX-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.96
Rot. Bonds2

About 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide

2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide (PubChem CID 130610634) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide
PubChem CID130610634
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide
SMILESCc1csc(Cl)c1C(=O)NCC#N
InChIInChI=1S/C8H7ClN2OS/c1-5-4-13-7(9)6(5)8(12)11-3-2-10/h4H,3H2,1H3,(H,11,12)
InChIKeyGKJPXGHPJCWQEX-UHFFFAOYSA-N
XLogP1.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methoxy-4-methylthiophene-3-carboxamide
CID 126990720
methyl 2-chloro-4-methylthiophene-3-carboxylate
CID 131063806
N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide
CID 82471529
4-tert-butyl-N-(cyanomethyl)-2,6-dimethylbenzamide
CID 82478635
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-amino-5-chloro-N-(cyanomethyl)-3-methylbenzamide
CID 150816609
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
2-chloro-N-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]-4-methylthiophene-3-carboxamide
CID 167870405
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
CID 103187307
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
4-tert-butyl-N-(cyanomethyl)-2-methylbenzamide
CID 82474476
6-chloro-N-(cyanomethyl)pyridine-3-carboxamide
CID 61248726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide (CID 130610634) is 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide is Cc1csc(Cl)c1C(=O)NCC#N.
What is the InChIKey of 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide?
The InChIKey is GKJPXGHPJCWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-5-4-13-7(9)6(5)8(12)11-3-2-10/h4H,3H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide?
2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide has a molecular weight of 214.68 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyanomethyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 130610634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).