5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide

C17H14N4O3S — CID 175161167

IUPAC5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
SMILESCCCOc1nsc(NC(=O)c2coc(-c3cccc(C#N)c3)c2)n1
InChIInChI=1S/C17H14N4O3S/c1-2-6-23-16-20-17(25-21-16)19-15(22)13-8-14(24-10-13)12-5-3-4-11(7-12)9-18/h3-5,7-8,10H,2,6H2,1H3,(H,19,20,21,22)
InChIKeyDKRLVEVWGYORBF-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.71
Rot. Bonds6

About 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide

5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide (PubChem CID 175161167) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
PubChem CID175161167
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
SMILESCCCOc1nsc(NC(=O)c2coc(-c3cccc(C#N)c3)c2)n1
InChIInChI=1S/C17H14N4O3S/c1-2-6-23-16-20-17(25-21-16)19-15(22)13-8-14(24-10-13)12-5-3-4-11(7-12)9-18/h3-5,7-8,10H,2,6H2,1H3,(H,19,20,21,22)
InChIKeyDKRLVEVWGYORBF-UHFFFAOYSA-N
XLogP3.71
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
The IUPAC name of 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide (CID 175161167) is 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide.
What is the SMILES notation for 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
The canonical SMILES for 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide is CCCOc1nsc(NC(=O)c2coc(-c3cccc(C#N)c3)c2)n1.
What is the InChIKey of 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
The InChIKey is DKRLVEVWGYORBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-2-6-23-16-20-17(25-21-16)19-15(22)13-8-14(24-10-13)12-5-3-4-11(7-12)9-18/h3-5,7-8,10H,2,6H2,1H3,(H,19,20,21,22).
What are the key properties of 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide?
5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide is sourced from PubChem (CID 175161167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).