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

C17H18N4O2S2 — CID 126626289

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)CSc2nnc(Cc3ccccc3)o2)n1
InChIInChI=1S/C17H18N4O2S2/c1-11(2)13-9-24-16(18-13)19-14(22)10-25-17-21-20-15(23-17)8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,19,22)
InChIKeyQVEILIIBKUCAAV-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.97
Rot. Bonds7

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

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 126626289) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID126626289
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)CSc2nnc(Cc3ccccc3)o2)n1
InChIInChI=1S/C17H18N4O2S2/c1-11(2)13-9-24-16(18-13)19-14(22)10-25-17-21-20-15(23-17)8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,19,22)
InChIKeyQVEILIIBKUCAAV-UHFFFAOYSA-N
XLogP3.97
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 2941372
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7994614
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 7994747
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide
CID 1147417
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 3943131
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 1162761
ethyl 4-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 1114546
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 102629870
N-(4-methylphenyl)-2-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 19060549
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-bromo-4-chlorophenyl)acetamide
CID 2192154
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 4267605

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 126626289) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1csc(NC(=O)CSc2nnc(Cc3ccccc3)o2)n1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QVEILIIBKUCAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-11(2)13-9-24-16(18-13)19-14(22)10-25-17-21-20-15(23-17)8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 126626289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).