N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide

C13H11N3OS — CID 43548914

IUPACN-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)cc2C#N)s1
InChIInChI=1S/C13H11N3OS/c1-8-2-5-12(18-8)13(17)16-11-4-3-10(15)6-9(11)7-14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyYQKDFZTWBRGKCL-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.76
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide

N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 43548914) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
PubChem CID43548914
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(N)cc2C#N)s1
InChIInChI=1S/C13H11N3OS/c1-8-2-5-12(18-8)13(17)16-11-4-3-10(15)6-9(11)7-14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyYQKDFZTWBRGKCL-UHFFFAOYSA-N
XLogP2.76
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-cyanophenyl)-4,5-dibromothiophene-2-carboxamide
CID 80537159
N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 18072015
4-amino-2-[(5-methylthiophene-2-carbonyl)amino]benzoic acid
CID 55178097
N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
CID 114818637
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669159
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
N-(2-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 55169355
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide (CID 43548914) is N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(N)cc2C#N)s1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is YQKDFZTWBRGKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-2-5-12(18-8)13(17)16-11-4-3-10(15)6-9(11)7-14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide?
N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 43548914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).