2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone

C16H12FN3OS2 — CID 99985600

IUPAC2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CCS[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H12FN3OS2/c17-12-3-1-2-11(8-12)16-20(6-7-22-16)15(21)10-4-5-13-14(9-10)19-23-18-13/h1-5,8-9,16H,6-7H2/t16-/m1/s1
InChIKeyXNMSMAQVDJLLMV-MRXNPFEDSA-N
MW345.42 g/mol
LogP3.72
Rot. Bonds2

About 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone

2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 99985600) has the molecular formula C16H12FN3OS2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID99985600
Molecular FormulaC16H12FN3OS2
Molecular Weight345.42 g/mol
Exact Mass345.04
IUPAC Name2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CCS[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H12FN3OS2/c17-12-3-1-2-11(8-12)16-20(6-7-22-16)15(21)10-4-5-13-14(9-10)19-23-18-13/h1-5,8-9,16H,6-7H2/t16-/m1/s1
InChIKeyXNMSMAQVDJLLMV-MRXNPFEDSA-N
XLogP3.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone 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

[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 7397609
[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7364549
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 93114948
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122331337
1-[(2S)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 7215318
(4-tert-butylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5086783
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 122331258
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
(4-phenylphenyl)-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 5079470
(3-chlorophenyl)-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7249265
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone (CID 99985600) is 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone is O=C(c1ccc2nsnc2c1)N1CCS[C@@H]1c1cccc(F)c1.
What is the InChIKey of 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is XNMSMAQVDJLLMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12FN3OS2/c17-12-3-1-2-11(8-12)16-20(6-7-22-16)15(21)10-4-5-13-14(9-10)19-23-18-13/h1-5,8-9,16H,6-7H2/t16-/m1/s1.
What are the key properties of 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 345.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 99985600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).