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

C15H14N4OS2 — CID 2746659

IUPACN-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NNC(c2ccccn2)S1)Nc1ccccc1
InChIInChI=1S/C15H14N4OS2/c20-13(17-11-6-2-1-3-7-11)10-21-15-19-18-14(22-15)12-8-4-5-9-16-12/h1-9,14,18H,10H2,(H,17,20)
InChIKeyQQXUHMOOSXZQGF-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.06
Rot. Bonds4

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

N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide (PubChem CID 2746659) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
PubChem CID2746659
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC NameN-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide
SMILESO=C(CSC1=NNC(c2ccccn2)S1)Nc1ccccc1
InChIInChI=1S/C15H14N4OS2/c20-13(17-11-6-2-1-3-7-11)10-21-15-19-18-14(22-15)12-8-4-5-9-16-12/h1-9,14,18H,10H2,(H,17,20)
InChIKeyQQXUHMOOSXZQGF-UHFFFAOYSA-N
XLogP3.06
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Benzylsulfanyl-2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazole
CID 2746653
N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamide
CID 2746662
3-(2-Fluorophenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 5043540
N-phenyl-2-(2-pyridylmethylthio)acetamide
CID 650720
3-Phenyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3237434
4-(Pyridin-2-yl)-2,3-dihydro-1,3-thiazol-2-one
CID 43286791
2-phenylsulfanyl-N-pyridin-3-ylacetamide
CID 801624
N-Phenyl-2-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetamide
CID 3163619
N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 3275584
N-(pentafluorophenyl)-3-[(2-pyridin-2-ylethyl)thio]propanamide
CID 4600213
N-phenyl-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 20900476
N-phenyl-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190466

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide (CID 2746659) is N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide is O=C(CSC1=NNC(c2ccccn2)S1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide?
The InChIKey is QQXUHMOOSXZQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c20-13(17-11-6-2-1-3-7-11)10-21-15-19-18-14(22-15)12-8-4-5-9-16-12/h1-9,14,18H,10H2,(H,17,20).
What are the key properties of N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide?
N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide has a molecular weight of 330.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(2-pyridin-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 2746659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).