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

C17H12N4O2S3 — CID 2155764

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H12N4O2S3/c22-14(10-26-17-21-20-15(23-17)13-7-4-8-24-13)19-16-18-12(9-25-16)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19,22)
InChIKeyOMZSYHAFRBBLDL-UHFFFAOYSA-N
MW400.51 g/mol
LogP4.65
Rot. Bonds6

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

N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2155764) has the molecular formula C17H12N4O2S3 and a molecular weight of 400.51 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2155764
Molecular FormulaC17H12N4O2S3
Molecular Weight400.51 g/mol
Exact Mass400.01
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H12N4O2S3/c22-14(10-26-17-21-20-15(23-17)13-7-4-8-24-13)19-16-18-12(9-25-16)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19,22)
InChIKeyOMZSYHAFRBBLDL-UHFFFAOYSA-N
XLogP4.65
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2155764) is N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccs2)o1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OMZSYHAFRBBLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S3/c22-14(10-26-17-21-20-15(23-17)13-7-4-8-24-13)19-16-18-12(9-25-16)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,19,22).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 400.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2155764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).