N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C16H15N3O3S — CID 659708

IUPACN-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)c(C)c1
InChIInChI=1S/C16H15N3O3S/c1-10-5-6-12(11(2)8-10)22-9-14-18-19-16(23-14)17-15(20)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyURZGXRQIICQLIH-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.58
Rot. Bonds5

About N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 659708) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID659708
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)c(C)c1
InChIInChI=1S/C16H15N3O3S/c1-10-5-6-12(11(2)8-10)22-9-14-18-19-16(23-14)17-15(20)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,17,19,20)
InChIKeyURZGXRQIICQLIH-UHFFFAOYSA-N
XLogP3.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-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

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-[5-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1387314
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 672445
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 684730
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 733781
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 1250258
N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 5147688

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 659708) is N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is Cc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)c(C)c1.
What is the InChIKey of N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is URZGXRQIICQLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-5-6-12(11(2)8-10)22-9-14-18-19-16(23-14)17-15(20)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,17,19,20).
What are the key properties of N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 659708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).