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

C12H9N5O2S2 — CID 3966922

IUPAC2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1nccs1
InChIInChI=1S/C12H9N5O2S2/c18-9(15-11-14-4-5-20-11)7-21-12-17-16-10(19-12)8-2-1-3-13-6-8/h1-6H,7H2,(H,14,15,18)
InChIKeyYCCSGVRTZCNCFU-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.32
Rot. Bonds5

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

2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3966922) has the molecular formula C12H9N5O2S2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3966922
Molecular FormulaC12H9N5O2S2
Molecular Weight319.37 g/mol
Exact Mass319.02
IUPAC Name2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2cccnc2)o1)Nc1nccs1
InChIInChI=1S/C12H9N5O2S2/c18-9(15-11-14-4-5-20-11)7-21-12-17-16-10(19-12)8-2-1-3-13-6-8/h1-6H,7H2,(H,14,15,18)
InChIKeyYCCSGVRTZCNCFU-UHFFFAOYSA-N
XLogP2.32
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 663592
Ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate
CID 134138693
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 974453
N-(4-methyl-2-thiazolyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]acetamide
CID 1263614
2-[2-[[1-Oxo-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]-4-thiazolyl]acetic acid ethyl ester
CID 1601742
N-(4-methyl-1,3-thiazol-2-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1263196
6-[(5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17562978
[2-[[2-[[5-(2-Benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1,3-benzothiazol-6-yl] thiocyanate
CID 71652253
2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 71654573
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2103219
2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 2133301
N-(1,3-benzothiazol-2-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 4679863

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3966922) is 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nnc(-c2cccnc2)o1)Nc1nccs1.
What is the InChIKey of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YCCSGVRTZCNCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2S2/c18-9(15-11-14-4-5-20-11)7-21-12-17-16-10(19-12)8-2-1-3-13-6-8/h1-6H,7H2,(H,14,15,18).
What are the key properties of 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 319.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3966922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).