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

C15H13N3O4S — CID 659827

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C15H13N3O4S/c1-20-10-5-2-3-6-11(10)22-9-13(19)16-15-18-17-14(23-15)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyRHNAYJYSWBWPNO-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.82
Rot. Bonds6

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 659827) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID659827
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C15H13N3O4S/c1-20-10-5-2-3-6-11(10)22-9-13(19)16-15-18-17-14(23-15)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeyRHNAYJYSWBWPNO-UHFFFAOYSA-N
XLogP2.82
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 4581041
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062
N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-methylphenoxy)acetamide
CID 808863
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 747746
2-(4-ethylphenoxy)-N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)acetamide
CID 846585
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1383288
methyl N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1401960
N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 647275
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 695204

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide (CID 659827) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is RHNAYJYSWBWPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-20-10-5-2-3-6-11(10)22-9-13(19)16-15-18-17-14(23-15)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,16,18,19).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 331.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 659827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).