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

C20H17N5O2S3 — CID 71654573

IUPAC2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2nnc(-c3cccnc3SCc3ccccc3)o2)s1
InChIInChI=1S/C20H17N5O2S3/c1-13-10-22-19(30-13)23-16(26)12-29-20-25-24-17(27-20)15-8-5-9-21-18(15)28-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,22,23,26)
InChIKeyJDZNSWFZKBPFBO-UHFFFAOYSA-N
MW455.59 g/mol
LogP4.92
Rot. Bonds8

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

2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 71654573) has the molecular formula C20H17N5O2S3 and a molecular weight of 455.59 g/mol. Its IUPAC name is 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID71654573
Molecular FormulaC20H17N5O2S3
Molecular Weight455.59 g/mol
Exact Mass455.05
IUPAC Name2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2nnc(-c3cccnc3SCc3ccccc3)o2)s1
InChIInChI=1S/C20H17N5O2S3/c1-13-10-22-19(30-13)23-16(26)12-29-20-25-24-17(27-20)15-8-5-9-21-18(15)28-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,22,23,26)
InChIKeyJDZNSWFZKBPFBO-UHFFFAOYSA-N
XLogP4.92
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

1-Ethyl-3-[5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 44205420
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-(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
2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 3966922
N-(4-methyl-1,3-thiazol-2-yl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1263196
5-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 57397698
[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-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 71654574
2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4,6-dichloropyrimidin-2-yl)acetamide
CID 71654575
2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
CID 71654576

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 71654573) is 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CSc2nnc(-c3cccnc3SCc3ccccc3)o2)s1.
What is the InChIKey of 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JDZNSWFZKBPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S3/c1-13-10-22-19(30-13)23-16(26)12-29-20-25-24-17(27-20)15-8-5-9-21-18(15)28-11-14-6-3-2-4-7-14/h2-10H,11-12H2,1H3,(H,22,23,26).
What are the key properties of 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 455.59 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-benzylsulfanyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71654573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).