2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide

C15H11FN2O2S — CID 129283416

IUPAC2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide
SMILESO=C(NO)c1ccc2sc(Cc3ccc(F)cc3)nc2c1
InChIInChI=1S/C15H11FN2O2S/c16-11-4-1-9(2-5-11)7-14-17-12-8-10(15(19)18-20)3-6-13(12)21-14/h1-6,8,20H,7H2,(H,18,19)
InChIKeyDUAGNVODMZXKIG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.15
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide

2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide (PubChem CID 129283416) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide
PubChem CID129283416
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide
SMILESO=C(NO)c1ccc2sc(Cc3ccc(F)cc3)nc2c1
InChIInChI=1S/C15H11FN2O2S/c16-11-4-1-9(2-5-11)7-14-17-12-8-10(15(19)18-20)3-6-13(12)21-14/h1-6,8,20H,7H2,(H,18,19)
InChIKeyDUAGNVODMZXKIG-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-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

4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
CID 43306339
N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide
CID 129309357
2-[(4-chlorophenyl)methyl]-6-fluoro-1,3-benzothiazole
CID 50850071
3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]aniline
CID 65345782
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide
CID 54857994
2-ethyl-1,3-benzothiazole-5-carboxylic acid
CID 59426527
1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone
CID 84673454
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
3-[[[2-(5-fluoro-1,3-benzothiazol-2-yl)acetyl]amino]methyl]benzoic acid
CID 143975868
N-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamothioyl]-3,4-dichlorobenzamide
CID 54859141
2-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]acetic acid
CID 174463087
2-[(4-fluorophenyl)methyl]-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55650082

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide (CID 129283416) is 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide is O=C(NO)c1ccc2sc(Cc3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide?
The InChIKey is DUAGNVODMZXKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-4-1-9(2-5-11)7-14-17-12-8-10(15(19)18-20)3-6-13(12)21-14/h1-6,8,20H,7H2,(H,18,19).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide?
2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 129283416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).