N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C19H16N6OS — CID 47786385

IUPACN,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N6OS/c20-10-5-12-24(13-6-11-21)19(26)17-22-18(16-9-4-14-27-16)25(23-17)15-7-2-1-3-8-15/h1-4,7-9,14H,5-6,12-13H2
InChIKeyAULQZFRVJDDQAN-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.27
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 47786385) has the molecular formula C19H16N6OS and a molecular weight of 376.44 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID47786385
Molecular FormulaC19H16N6OS
Molecular Weight376.44 g/mol
Exact Mass376.11
IUPAC NameN,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N6OS/c20-10-5-12-24(13-6-11-21)19(26)17-22-18(16-9-4-14-27-16)25(23-17)15-7-2-1-3-8-15/h1-4,7-9,14H,5-6,12-13H2
InChIKeyAULQZFRVJDDQAN-UHFFFAOYSA-N
XLogP3.27
TPSA98.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-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

N-benzyl-N-(2-methoxyethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 35145720
N-methoxy-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46577778
N-[2-(diethylamino)-2-oxoethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 48503702
N-(2-cyanoethyl)-N-methyl-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796847
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
N-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 97352348
N-ethyl-1-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 30949855
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 31985102
N-(1,1-dioxothiolan-3-yl)-1-phenyl-N-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 60560818
N-ethyl-N-(2-hydroxyethyl)-5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 78854904
4-[[4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 30701244
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 120656744

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 47786385) is N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is N#CCCN(CCC#N)C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is AULQZFRVJDDQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c20-10-5-12-24(13-6-11-21)19(26)17-22-18(16-9-4-14-27-16)25(23-17)15-7-2-1-3-8-15/h1-4,7-9,14H,5-6,12-13H2.
What are the key properties of N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 47786385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).