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

C24H23ClN4O2S2 — CID 55869601

IUPACN-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1nnc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)o1
InChIInChI=1S/C24H23ClN4O2S2/c1-24(2,3)21-27-28-23(31-21)33-15-20(30)29(13-16-7-5-4-6-8-16)22-26-19(14-32-22)17-9-11-18(25)12-10-17/h4-12,14H,13,15H2,1-3H3
InChIKeyCBYJOCXCYMHCRI-UHFFFAOYSA-N
MW499.06 g/mol
LogP6.47
Rot. Bonds7

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

N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55869601) has the molecular formula C24H23ClN4O2S2 and a molecular weight of 499.06 g/mol. Its IUPAC name is N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55869601
Molecular FormulaC24H23ClN4O2S2
Molecular Weight499.06 g/mol
Exact Mass498.10
IUPAC NameN-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1nnc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)o1
InChIInChI=1S/C24H23ClN4O2S2/c1-24(2,3)21-27-28-23(31-21)33-15-20(30)29(13-16-7-5-4-6-8-16)22-26-19(14-32-22)17-9-11-18(25)12-10-17/h4-12,14H,13,15H2,1-3H3
InChIKeyCBYJOCXCYMHCRI-UHFFFAOYSA-N
XLogP6.47
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.06
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 55869601) is N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is CC(C)(C)c1nnc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)o1.
What is the InChIKey of N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CBYJOCXCYMHCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S2/c1-24(2,3)21-27-28-23(31-21)33-15-20(30)29(13-16-7-5-4-6-8-16)22-26-19(14-32-22)17-9-11-18(25)12-10-17/h4-12,14H,13,15H2,1-3H3.
What are the key properties of N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 499.06 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55869601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).