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

C16H14N4OS — CID 867497

IUPAC3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C16H14N4OS/c21-14(7-6-12-4-2-1-3-5-12)18-16-20-19-15(22-16)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,18,20,21)
InChIKeyQFTRMSKWDPSJLE-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.17
Rot. Bonds5

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

3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 867497) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID867497
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C16H14N4OS/c21-14(7-6-12-4-2-1-3-5-12)18-16-20-19-15(22-16)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,18,20,21)
InChIKeyQFTRMSKWDPSJLE-UHFFFAOYSA-N
XLogP3.17
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 867497) is 3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is O=C(CCc1ccccc1)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is QFTRMSKWDPSJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-14(7-6-12-4-2-1-3-5-12)18-16-20-19-15(22-16)13-8-10-17-11-9-13/h1-5,8-11H,6-7H2,(H,18,20,21).
What are the key properties of 3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 310.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 867497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).