acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide

C12H19N3OS — CID 143045841

IUPACacetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCC#N.CCN(CC)C(=O)c1sc(N)cc1C
InChIInChI=1S/C10H16N2OS.C2H3N/c1-4-12(5-2)10(13)9-7(3)6-8(11)14-9;1-2-3/h6H,4-5,11H2,1-3H3;1H3
InChIKeySMQBDHHDEZRPJB-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.65
Rot. Bonds3

About acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide

acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide (PubChem CID 143045841) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Nameacetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide
PubChem CID143045841
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Nameacetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide
SMILESCC#N.CCN(CC)C(=O)c1sc(N)cc1C
InChIInChI=1S/C10H16N2OS.C2H3N/c1-4-12(5-2)10(13)9-7(3)6-8(11)14-9;1-2-3/h6H,4-5,11H2,1-3H3;1H3
InChIKeySMQBDHHDEZRPJB-UHFFFAOYSA-N
XLogP2.65
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze acetonitrile;5-amino-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

3-amino-N,N-diethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 743752
2-amino-N,N-diethyl-5-methylthiophene-3-carboxamide
CID 43367307
N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
CID 4609681
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
N,N-diethyl-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79981893
3-amino-N,N-diethyl-6,8-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 1442795
4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide
CID 1040259
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
methyl 5-amino-4-(diethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899541
4-cyano-N,N-diethyl-3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxamide
CID 3766067
4-amino-N,N-diethyl-6-methylpyridine-3-carboxamide
CID 81236376
2-amino-N,N-diethyl-5-propan-2-ylthiophene-3-carboxamide
CID 43367305

Frequently Asked Questions

What is the IUPAC name of acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide?
The IUPAC name of acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide (CID 143045841) is acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide is CC#N.CCN(CC)C(=O)c1sc(N)cc1C.
What is the InChIKey of acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide?
The InChIKey is SMQBDHHDEZRPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS.C2H3N/c1-4-12(5-2)10(13)9-7(3)6-8(11)14-9;1-2-3/h6H,4-5,11H2,1-3H3;1H3.
What are the key properties of acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide?
acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;5-amino-N,N-diethyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 143045841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).