(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone

C16H13F2NOS — CID 93114948

IUPAC(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C16H13F2NOS/c17-12-5-3-4-11(10-12)15(20)19-8-9-21-16(19)13-6-1-2-7-14(13)18/h1-7,10,16H,8-9H2/t16-/m0/s1
InChIKeySUHNABCPJFFVQV-INIZCTEOSA-N
MW305.35 g/mol
LogP3.85
Rot. Bonds2

About (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone

(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 93114948) has the molecular formula C16H13F2NOS and a molecular weight of 305.35 g/mol. Its IUPAC name is (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID93114948
Molecular FormulaC16H13F2NOS
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C16H13F2NOS/c17-12-5-3-4-11(10-12)15(20)19-8-9-21-16(19)13-6-1-2-7-14(13)18/h1-7,10,16H,8-9H2/t16-/m0/s1
InChIKeySUHNABCPJFFVQV-INIZCTEOSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-fluorophenyl)methanone
CID 4526194
(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 5068001
[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 7397609
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 3444279
2,1,3-benzothiadiazol-5-yl-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 99985600
(2,4-dimethoxyphenyl)-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482577
[(2R)-2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 7396529
[2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 4246927
[(2R)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7418809
[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 7350573
1-[(2S)-2-(2,4-difluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7418795
[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 7260189

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone (CID 93114948) is (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone is O=C(c1cccc(F)c1)N1CCS[C@H]1c1ccccc1F.
What is the InChIKey of (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is SUHNABCPJFFVQV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13F2NOS/c17-12-5-3-4-11(10-12)15(20)19-8-9-21-16(19)13-6-1-2-7-14(13)18/h1-7,10,16H,8-9H2/t16-/m0/s1.
What are the key properties of (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone?
(3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 305.35 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 93114948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).