N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C16H12N6OS2 — CID 1281405

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H12N6OS2/c23-13(10-24-16-20-19-12-8-4-5-9-22(12)16)17-15-18-14(21-25-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,21,23)
InChIKeyDFWOSTMNIRHPIF-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.98
Rot. Bonds5

About N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 1281405) has the molecular formula C16H12N6OS2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID1281405
Molecular FormulaC16H12N6OS2
Molecular Weight368.45 g/mol
Exact Mass368.05
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESO=C(CSc1nnc2ccccn12)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H12N6OS2/c23-13(10-24-16-20-19-12-8-4-5-9-22(12)16)17-15-18-14(21-25-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,21,23)
InChIKeyDFWOSTMNIRHPIF-UHFFFAOYSA-N
XLogP2.98
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-phenylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 972377
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
methyl 4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]benzoate
CID 705274
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750525
N-(2-phenylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 4639061
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133334637
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7888834
N-(2-phenylsulfanylethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7628096
ethyl 4-phenyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
CID 1181757
2-[(12-oxo-11-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 2243013
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110
N-[4-(difluoromethoxy)phenyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2613279

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 1281405) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is O=C(CSc1nnc2ccccn12)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is DFWOSTMNIRHPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6OS2/c23-13(10-24-16-20-19-12-8-4-5-9-22(12)16)17-15-18-14(21-25-15)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,21,23).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 368.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 1281405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).