N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide

C17H14N6O2S — CID 17015515

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccco2)s1
InChIInChI=1S/C17H14N6O2S/c1-2-13-19-21-17(26-13)18-16(24)14-15(12-9-6-10-25-12)23(22-20-14)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,18,21,24)
InChIKeyDMHKNBVCWWCPIR-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.19
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide (PubChem CID 17015515) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide
PubChem CID17015515
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccco2)s1
InChIInChI=1S/C17H14N6O2S/c1-2-13-19-21-17(26-13)18-16(24)14-15(12-9-6-10-25-12)23(22-20-14)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,18,21,24)
InChIKeyDMHKNBVCWWCPIR-UHFFFAOYSA-N
XLogP3.19
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide (CID 17015515) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide is CCc1nnc(NC(=O)c2nnn(-c3ccccc3)c2-c2ccco2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide?
The InChIKey is DMHKNBVCWWCPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-2-13-19-21-17(26-13)18-16(24)14-15(12-9-6-10-25-12)23(22-20-14)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,18,21,24).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 17015515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).