5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide

C11H15N3OS — CID 673648

IUPAC5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(N)c(C#N)c1C
InChIInChI=1S/C11H15N3OS/c1-4-14(5-2)11(15)9-7(3)8(6-12)10(13)16-9/h4-5,13H2,1-3H3
InChIKeyHNCPUGCSLAOXGJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.99
Rot. Bonds3

About 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide

5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide (PubChem CID 673648) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
PubChem CID673648
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(N)c(C#N)c1C
InChIInChI=1S/C11H15N3OS/c1-4-14(5-2)11(15)9-7(3)8(6-12)10(13)16-9/h4-5,13H2,1-3H3
InChIKeyHNCPUGCSLAOXGJ-UHFFFAOYSA-N
XLogP1.99
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 611038
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 614439
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-isobutyramide
CID 828996
6-Acetyl-2-amino-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxamide
CID 25219685
6-acetyl-2-amino-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-isobutyramide
CID 654813
N-[5-(N,N-diethylcarbamoyl)-3-cyano-4-methyl(2-thienyl)]-2-methylpropanamide
CID 829009
2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile
CID 685920
5-amino-4-cyano-N-cyclohexyl-N-ethyl-3-methyl-2-thiophenecarboxamide
CID 869161
5-Acetyl-2-amino-4-methylthiophene-3-carbonitrile
CID 675983
N-[3-cyano-4-methyl-5-(piperidylcarbonyl)(2-thienyl)]cyclopropylcarboxamide
CID 650633
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]propanamide
CID 655573

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide (CID 673648) is 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide is CCN(CC)C(=O)c1sc(N)c(C#N)c1C.
What is the InChIKey of 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide?
The InChIKey is HNCPUGCSLAOXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-4-14(5-2)11(15)9-7(3)8(6-12)10(13)16-9/h4-5,13H2,1-3H3.
What are the key properties of 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide?
5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 673648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).