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

C16H14N4OS2 — CID 122190379

IUPACN-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)s1)NCc1ccccc1
InChIInChI=1S/C16H14N4OS2/c21-14(18-10-12-4-2-1-3-5-12)11-22-16-20-19-15(23-16)13-6-8-17-9-7-13/h1-9H,10-11H2,(H,18,21)
InChIKeyZQYSYURVRFPWCZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.01
Rot. Bonds6

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

N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 122190379) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID122190379
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC NameN-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)s1)NCc1ccccc1
InChIInChI=1S/C16H14N4OS2/c21-14(18-10-12-4-2-1-3-5-12)11-22-16-20-19-15(23-16)13-6-8-17-9-7-13/h1-9H,10-11H2,(H,18,21)
InChIKeyZQYSYURVRFPWCZ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-N-quinolin-4-yl-acetamide
CID 1952659
N-(4-methylphenyl)-2-{[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetamide
CID 1258949
N-Phenyl-2-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetamide
CID 3163619
3-Benzyl-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3719133
N-(4-chlorophenyl)-2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190463
N-phenyl-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190466
N-benzyl-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190467
N-[(2-chlorophenyl)methyl]-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190468
N-[(4-chlorophenyl)methyl]-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190469
N-(2-chlorophenyl)-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190470
N-(4-chlorophenyl)-3-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 122190471
N-(2,6-dichlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 122190472

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 122190379) is N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccncc2)s1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZQYSYURVRFPWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c21-14(18-10-12-4-2-1-3-5-12)11-22-16-20-19-15(23-16)13-6-8-17-9-7-13/h1-9H,10-11H2,(H,18,21).
What are the key properties of N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 122190379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).