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

C16H14N4OS2 — CID 1258949

IUPACN-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)s2)cc1
InChIInChI=1S/C16H14N4OS2/c1-11-4-6-13(7-5-11)18-14(21)10-22-16-20-19-15(23-16)12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyUCKPTQCHQBAJIB-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.64
Rot. Bonds5

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

N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 1258949) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID1258949
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC NameN-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)s2)cc1
InChIInChI=1S/C16H14N4OS2/c1-11-4-6-13(7-5-11)18-14(21)10-22-16-20-19-15(23-16)12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyUCKPTQCHQBAJIB-UHFFFAOYSA-N
XLogP3.64
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methylphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 881003
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-acetamide
CID 884114
N-[4-(2-Pyridin-3-yl-thiazol-4-yl)-phenyl]-butyramide
CID 6487931
2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-N-quinolin-4-yl-acetamide
CID 1952659
N-Phenyl-2-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetamide
CID 3163619
3-(3-Fluoro-4-methylphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 3238842
2-((6-(pyridin-3-yl)pyridazin-3-yl)thio)-N-(m-tolyl)acetamide
CID 7222431
N-(4-ethylphenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 16019313
N-benzyl-2-[[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 122190379
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 1258949) is N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is UCKPTQCHQBAJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c1-11-4-6-13(7-5-11)18-14(21)10-22-16-20-19-15(23-16)12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1258949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).