2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole

C16H17N3OS2 — CID 71993076

IUPAC2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nc(CSCc2nnc(Cc3ccccc3)o2)cs1
InChIInChI=1S/C16H17N3OS2/c1-2-16-17-13(10-22-16)9-21-11-15-19-18-14(20-15)8-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3
InChIKeyIDCJCCKWILNQFN-UHFFFAOYSA-N
MW331.47 g/mol
LogP4.11
Rot. Bonds7

About 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole

2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 71993076) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
PubChem CID71993076
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC Name2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
SMILESCCc1nc(CSCc2nnc(Cc3ccccc3)o2)cs1
InChIInChI=1S/C16H17N3OS2/c1-2-16-17-13(10-22-16)9-21-11-15-19-18-14(20-15)8-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3
InChIKeyIDCJCCKWILNQFN-UHFFFAOYSA-N
XLogP4.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-5-propyl-1,3,4-oxadiazole
CID 14949002
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2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 38867895
2-benzyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
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CID 89104418
2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 70739356
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CID 39099745
2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-5-(3-bromophenyl)-1,3,4-oxadiazole
CID 38873588
2-ethyl-4-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 29473143
2-amino-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]butanoic acid
CID 60929744
2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 38870013
4-(benzylsulfanylmethyl)-2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole (CID 71993076) is 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole is CCc1nc(CSCc2nnc(Cc3ccccc3)o2)cs1.
What is the InChIKey of 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is IDCJCCKWILNQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-2-16-17-13(10-22-16)9-21-11-15-19-18-14(20-15)8-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3.
What are the key properties of 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 331.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71993076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).