[(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone

C21H20F2N2O3S — CID 99807203

IUPAC[(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CSCN1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)N1CCCC1
InChIInChI=1S/C21H20F2N2O3S/c22-15-5-8-19(17(23)11-15)28-16-6-3-14(4-7-16)20(26)25-13-29-12-18(25)21(27)24-9-1-2-10-24/h3-8,11,18H,1-2,9-10,12-13H2/t18-/m0/s1
InChIKeyDMVHWCSOYZKUIJ-SFHVURJKSA-N
MW418.47 g/mol
LogP3.89
Rot. Bonds4

About [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone

[(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 99807203) has the molecular formula C21H20F2N2O3S and a molecular weight of 418.47 g/mol. Its IUPAC name is [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID99807203
Molecular FormulaC21H20F2N2O3S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name[(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CSCN1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)N1CCCC1
InChIInChI=1S/C21H20F2N2O3S/c22-15-5-8-19(17(23)11-15)28-16-6-3-14(4-7-16)20(26)25-13-29-12-18(25)21(27)24-9-1-2-10-24/h3-8,11,18H,1-2,9-10,12-13H2/t18-/m0/s1
InChIKeyDMVHWCSOYZKUIJ-SFHVURJKSA-N
XLogP3.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
[4-(2,4-difluorophenoxy)phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 95623125
1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone
CID 3960804
(3R)-4-[4-(2,4-difluorophenoxy)benzoyl]-3-methyl-1,4-diazepan-2-one
CID 124620018
[4-(2,4-difluorophenoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649389
2-(3,4-difluorophenyl)-1-[(4S)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
CID 124512436
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2,4-difluorophenoxy)phenyl]methanone
CID 120659467
[4-(2,4-difluorophenoxy)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119577253
[4-(2,4-difluorophenoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645123
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
6-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
CID 119183482

Frequently Asked Questions

What is the IUPAC name of [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone (CID 99807203) is [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1CSCN1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1)N1CCCC1.
What is the InChIKey of [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DMVHWCSOYZKUIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20F2N2O3S/c22-15-5-8-19(17(23)11-15)28-16-6-3-14(4-7-16)20(26)25-13-29-12-18(25)21(27)24-9-1-2-10-24/h3-8,11,18H,1-2,9-10,12-13H2/t18-/m0/s1.
What are the key properties of [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone?
[(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 418.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-[4-(2,4-difluorophenoxy)benzoyl]-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 99807203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).