5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide

C17H16N4O3S — CID 46353927

IUPAC5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2nnc(C(=O)NCCc3ccco3)s2)cc1
InChIInChI=1S/C17H16N4O3S/c1-11-4-6-12(7-5-11)19-15(23)17-21-20-16(25-17)14(22)18-9-8-13-3-2-10-24-13/h2-7,10H,8-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyXPUCVWATEBLDKN-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.66
Rot. Bonds6

About 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide

5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide (PubChem CID 46353927) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
PubChem CID46353927
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2nnc(C(=O)NCCc3ccco3)s2)cc1
InChIInChI=1S/C17H16N4O3S/c1-11-4-6-12(7-5-11)19-15(23)17-21-20-16(25-17)14(22)18-9-8-13-3-2-10-24-13/h2-7,10H,8-9H2,1H3,(H,18,22)(H,19,23)
InChIKeyXPUCVWATEBLDKN-UHFFFAOYSA-N
XLogP2.66
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide 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-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 46327584
5-[4-(furan-2-ylmethylamino)-4-oxobutyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46320147
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
N-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332334
2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353949
2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353962
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184
5-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92871484
2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46354001
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The IUPAC name of 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide (CID 46353927) is 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide is Cc1ccc(NC(=O)c2nnc(C(=O)NCCc3ccco3)s2)cc1.
What is the InChIKey of 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The InChIKey is XPUCVWATEBLDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-11-4-6-12(7-5-11)19-15(23)17-21-20-16(25-17)14(22)18-9-8-13-3-2-10-24-13/h2-7,10H,8-9H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide is sourced from PubChem (CID 46353927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).