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

C11H11N3O2S — CID 976314

IUPACN-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESC/C=C(\C)c1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C11H11N3O2S/c1-3-7(2)10-13-14-11(17-10)12-9(15)8-5-4-6-16-8/h3-6H,1-2H3,(H,12,14,15)/b7-3+
InChIKeyYXUYSGKSNQCRGO-XVNBXDOJSA-N
MW249.30 g/mol
LogP2.81
Rot. Bonds3

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

N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 976314) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID976314
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESC/C=C(\C)c1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C11H11N3O2S/c1-3-7(2)10-13-14-11(17-10)12-9(15)8-5-4-6-16-8/h3-6H,1-2H3,(H,12,14,15)/b7-3+
InChIKeyYXUYSGKSNQCRGO-XVNBXDOJSA-N
XLogP2.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1387314
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
N-(2-propyltetrazol-5-yl)furan-2-carboxamide
CID 894157
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
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-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 976314) is N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is C/C=C(\C)c1nnc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is YXUYSGKSNQCRGO-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-3-7(2)10-13-14-11(17-10)12-9(15)8-5-4-6-16-8/h3-6H,1-2H3,(H,12,14,15)/b7-3+.
What are the key properties of N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-but-2-en-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 976314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).