N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide

C15H11FN2O2S — CID 71659900

IUPACN-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)n1sc2ccccc2c1=O
InChIInChI=1S/C15H11FN2O2S/c16-11-7-5-10(6-8-11)9-17-15(20)18-14(19)12-3-1-2-4-13(12)21-18/h1-8H,9H2,(H,17,20)
InChIKeyRJKIGMNRBIHJAP-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.96
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide (PubChem CID 71659900) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide
PubChem CID71659900
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC NameN-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)n1sc2ccccc2c1=O
InChIInChI=1S/C15H11FN2O2S/c16-11-7-5-10(6-8-11)9-17-15(20)18-14(19)12-3-1-2-4-13(12)21-18/h1-8H,9H2,(H,17,20)
InChIKeyRJKIGMNRBIHJAP-UHFFFAOYSA-N
XLogP2.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 17173127
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70651205
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)acetamide
CID 108997842
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide (CID 71659900) is N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide is O=C(NCc1ccc(F)cc1)n1sc2ccccc2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide?
The InChIKey is RJKIGMNRBIHJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-7-5-10(6-8-11)9-17-15(20)18-14(19)12-3-1-2-4-13(12)21-18/h1-8H,9H2,(H,17,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-oxo-1,2-benzothiazole-2-carboxamide is sourced from PubChem (CID 71659900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).