N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C17H15N3OS — CID 821478

IUPACN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C17H15N3OS/c21-16(14-9-5-2-6-10-14)18-17-20-19-15(22-17)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21)
InChIKeyLZMYTXMTFJGQJA-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.58
Rot. Bonds5

About N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 821478) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID821478
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C17H15N3OS/c21-16(14-9-5-2-6-10-14)18-17-20-19-15(22-17)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21)
InChIKeyLZMYTXMTFJGQJA-UHFFFAOYSA-N
XLogP3.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 821478) is N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCc2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is LZMYTXMTFJGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(14-9-5-2-6-10-14)18-17-20-19-15(22-17)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20,21).
What are the key properties of N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 309.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 821478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).