N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide

C14H17N3O4S — CID 654870

IUPACN-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)N(Cc1ccco1)c1nnc(C2CCOC2)s1
InChIInChI=1S/C14H17N3O4S/c1-19-9-12(18)17(7-11-3-2-5-21-11)14-16-15-13(22-14)10-4-6-20-8-10/h2-3,5,10H,4,6-9H2,1H3
InChIKeyOOJITRJZBBEVHC-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.81
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide

N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 654870) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID654870
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)N(Cc1ccco1)c1nnc(C2CCOC2)s1
InChIInChI=1S/C14H17N3O4S/c1-19-9-12(18)17(7-11-3-2-5-21-11)14-16-15-13(22-14)10-4-6-20-8-10/h2-3,5,10H,4,6-9H2,1H3
InChIKeyOOJITRJZBBEVHC-UHFFFAOYSA-N
XLogP1.81
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide 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-(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)-1-(furan-2-ylcarbonyl)piperidine-4-carboxamide
CID 6497494
1-(furan-2-ylcarbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6497496
1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6497506
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
CID 665745
N1-(furan-2-ylmethyl)-N4-(5-methyl-1,3,4-thiadiazol-2-yl)succinamide
CID 664184
Furan-2-carboxylic acid ethyl-[5-(4-methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-amide
CID 855559
N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 975682
N-(5-(But-2-en-2-yl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 976314
N-(5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 2162949
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3212619

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 654870) is N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide is COCC(=O)N(Cc1ccco1)c1nnc(C2CCOC2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OOJITRJZBBEVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-19-9-12(18)17(7-11-3-2-5-21-11)14-16-15-13(22-14)10-4-6-20-8-10/h2-3,5,10H,4,6-9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methoxy-N-[5-(oxolan-3-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 654870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).