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

C16H15N3O2S — CID 665760

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-2-12(11-7-4-3-5-8-11)14(20)17-16-19-18-15(22-16)13-9-6-10-21-13/h3-10,12H,2H2,1H3,(H,17,19,20)
InChIKeyVQJDIRREVPLGPB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.93
Rot. Bonds5

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide (PubChem CID 665760) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
PubChem CID665760
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-2-12(11-7-4-3-5-8-11)14(20)17-16-19-18-15(22-16)13-9-6-10-21-13/h3-10,12H,2H2,1H3,(H,17,19,20)
InChIKeyVQJDIRREVPLGPB-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide (CID 665760) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide is CCC(C(=O)Nc1nnc(-c2ccco2)s1)c1ccccc1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide?
The InChIKey is VQJDIRREVPLGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-12(11-7-4-3-5-8-11)14(20)17-16-19-18-15(22-16)13-9-6-10-21-13/h3-10,12H,2H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide has a molecular weight of 313.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 665760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).