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

C17H14FN3OS — CID 3669135

IUPAC3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3OS/c18-14-8-4-7-13(11-14)16(22)19-17-21-20-15(23-17)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,21,22)
InChIKeyHDOQUCOURGRLPG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.71
Rot. Bonds5

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

3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3669135) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3669135
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1cccc(F)c1
InChIInChI=1S/C17H14FN3OS/c18-14-8-4-7-13(11-14)16(22)19-17-21-20-15(23-17)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,21,22)
InChIKeyHDOQUCOURGRLPG-UHFFFAOYSA-N
XLogP3.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
Bcr-abl Inhibitor II
CID 3320547
4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44412060
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1097674
2,4-dichloro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1103113
N-(5-Benzyl-[1,3,4]thiadiazol-2-yl)-3-methyl-benzamide
CID 832881
2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878365
N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 2971416
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
2-fluoro-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3733180

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3669135) is 3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCc2ccccc2)s1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is HDOQUCOURGRLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-14-8-4-7-13(11-14)16(22)19-17-21-20-15(23-17)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,19,21,22).
What are the key properties of 3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3669135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).