N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C20H12FN5O2S2 — CID 86573528

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc3ncccc3c2)o1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C20H12FN5O2S2/c21-13-4-6-15-16(9-13)30-19(23-15)24-17(27)10-29-20-26-25-18(28-20)12-3-5-14-11(8-12)2-1-7-22-14/h1-9H,10H2,(H,23,24,27)
InChIKeyWXHYJYLOSAMBHM-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.76
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 86573528) has the molecular formula C20H12FN5O2S2 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID86573528
Molecular FormulaC20H12FN5O2S2
Molecular Weight437.48 g/mol
Exact Mass437.04
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc3ncccc3c2)o1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C20H12FN5O2S2/c21-13-4-6-15-16(9-13)30-19(23-15)24-17(27)10-29-20-26-25-18(28-20)12-3-5-14-11(8-12)2-1-7-22-14/h1-9H,10H2,(H,23,24,27)
InChIKeyWXHYJYLOSAMBHM-UHFFFAOYSA-N
XLogP4.76
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-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-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 86573528) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc3ncccc3c2)o1)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is WXHYJYLOSAMBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN5O2S2/c21-13-4-6-15-16(9-13)30-19(23-15)24-17(27)10-29-20-26-25-18(28-20)12-3-5-14-11(8-12)2-1-7-22-14/h1-9H,10H2,(H,23,24,27).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 437.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 86573528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).