N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C16H14N4OS2 — CID 122190466

IUPACN-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nnc(-c2ccncc2)s1)Nc1ccccc1
InChIInChI=1S/C16H14N4OS2/c21-14(18-13-4-2-1-3-5-13)8-11-22-16-20-19-15(23-16)12-6-9-17-10-7-12/h1-7,9-10H,8,11H2,(H,18,21)
InChIKeyYYIALSSQEUZIMM-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.72
Rot. Bonds6

About N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 122190466) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID122190466
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC NameN-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nnc(-c2ccncc2)s1)Nc1ccccc1
InChIInChI=1S/C16H14N4OS2/c21-14(18-13-4-2-1-3-5-13)8-11-22-16-20-19-15(23-16)12-6-9-17-10-7-12/h1-7,9-10H,8,11H2,(H,18,21)
InChIKeyYYIALSSQEUZIMM-UHFFFAOYSA-N
XLogP3.72
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 122190466) is N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is O=C(CCSc1nnc(-c2ccncc2)s1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is YYIALSSQEUZIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c21-14(18-13-4-2-1-3-5-13)8-11-22-16-20-19-15(23-16)12-6-9-17-10-7-12/h1-7,9-10H,8,11H2,(H,18,21).
What are the key properties of N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 342.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 122190466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).