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

C14H11N3O3S — CID 695203

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H11N3O3S/c1-19-10-6-3-2-5-9(10)12(18)15-14-17-16-13(21-14)11-7-4-8-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyBDQAHQAVHHIQIM-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.06
Rot. Bonds4

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (PubChem CID 695203) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
PubChem CID695203
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C14H11N3O3S/c1-19-10-6-3-2-5-9(10)12(18)15-14-17-16-13(21-14)11-7-4-8-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyBDQAHQAVHHIQIM-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

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Related Compounds

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-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 684928
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 711635
N-[5-(4-Fluoro-phenyl)-[1,3,4]thiadiazol-2-yl]-2-methoxy-benzamide
CID 741043
N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-methylphenoxy)acetamide
CID 808863
N-(5-phenethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 811280

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (CID 695203) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is BDQAHQAVHHIQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-19-10-6-3-2-5-9(10)12(18)15-14-17-16-13(21-14)11-7-4-8-20-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide 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-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 695203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).