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

C18H19N3O2S2 — CID 157154568

IUPAC1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)c1csc(CC(=O)CSc2nnc(Cc3ccccc3)o2)n1
InChIInChI=1S/C18H19N3O2S2/c1-12(2)15-11-24-17(19-15)9-14(22)10-25-18-21-20-16(23-18)8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyALQSUAKMSJIBSX-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.14
Rot. Bonds8

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

1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one (PubChem CID 157154568) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one
PubChem CID157154568
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one
SMILESCC(C)c1csc(CC(=O)CSc2nnc(Cc3ccccc3)o2)n1
InChIInChI=1S/C18H19N3O2S2/c1-12(2)15-11-24-17(19-15)9-14(22)10-25-18-21-20-16(23-18)8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyALQSUAKMSJIBSX-UHFFFAOYSA-N
XLogP4.14
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one (CID 157154568) is 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one is CC(C)c1csc(CC(=O)CSc2nnc(Cc3ccccc3)o2)n1.
What is the InChIKey of 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one?
The InChIKey is ALQSUAKMSJIBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12(2)15-11-24-17(19-15)9-14(22)10-25-18-21-20-16(23-18)8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one?
1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one has a molecular weight of 373.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 157154568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).