N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

C20H14FN3O2S3 — CID 25284487

IUPACN-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1nc2ccccc2s1
InChIInChI=1S/C20H14FN3O2S3/c21-13-7-5-12(6-8-13)16(25)11-28-20-22-14(10-27-20)9-18(26)24-19-23-15-3-1-2-4-17(15)29-19/h1-8,10H,9,11H2,(H,23,24,26)
InChIKeyFUCPSESVUJGJBP-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.05
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 25284487) has the molecular formula C20H14FN3O2S3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
PubChem CID25284487
Molecular FormulaC20H14FN3O2S3
Molecular Weight443.55 g/mol
Exact Mass443.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1nc2ccccc2s1
InChIInChI=1S/C20H14FN3O2S3/c21-13-7-5-12(6-8-13)16(25)11-28-20-22-14(10-27-20)9-18(26)24-19-23-15-3-1-2-4-17(15)29-19/h1-8,10H,9,11H2,(H,23,24,26)
InChIKeyFUCPSESVUJGJBP-UHFFFAOYSA-N
XLogP5.05
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]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-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 25284487) is N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The InChIKey is FUCPSESVUJGJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S3/c21-13-7-5-12(6-8-13)16(25)11-28-20-22-14(10-27-20)9-18(26)24-19-23-15-3-1-2-4-17(15)29-19/h1-8,10H,9,11H2,(H,23,24,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 25284487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).