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

C14H11N3O3S — CID 1383288

IUPACN-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccco3)s2)c1
InChIInChI=1S/C14H11N3O3S/c1-19-10-5-2-4-9(8-10)13-16-17-14(21-13)15-12(18)11-6-3-7-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyYOZFGLKKWRCSRB-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.06
Rot. Bonds4

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

N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 1383288) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID1383288
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOc1cccc(-c2nnc(NC(=O)c3ccco3)s2)c1
InChIInChI=1S/C14H11N3O3S/c1-19-10-5-2-4-9(8-10)13-16-17-14(21-13)15-12(18)11-6-3-7-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyYOZFGLKKWRCSRB-UHFFFAOYSA-N
XLogP3.06
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(3-methoxyphenyl)-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-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 1383288) is N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is COc1cccc(-c2nnc(NC(=O)c3ccco3)s2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is YOZFGLKKWRCSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-19-10-5-2-4-9(8-10)13-16-17-14(21-13)15-12(18)11-6-3-7-20-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1383288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).