3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one

C25H19F2N3O2S2 — CID 41355080

IUPAC3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C25H19F2N3O2S2/c26-18-9-3-1-7-16(18)24-29(13-14-33-24)22(31)15-34-25-28-20-11-5-2-8-17(20)23(32)30(25)21-12-6-4-10-19(21)27/h1-12,24H,13-15H2/t24-/m0/s1
InChIKeyBHLDFBONUYEVPE-DEOSSOPVSA-N
MW495.58 g/mol
LogP5.03
Rot. Bonds5

About 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one

3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one (PubChem CID 41355080) has the molecular formula C25H19F2N3O2S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
PubChem CID41355080
Molecular FormulaC25H19F2N3O2S2
Molecular Weight495.58 g/mol
Exact Mass495.09
IUPAC Name3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N1CCS[C@H]1c1ccccc1F
InChIInChI=1S/C25H19F2N3O2S2/c26-18-9-3-1-7-16(18)24-29(13-14-33-24)22(31)15-34-25-28-20-11-5-2-8-17(20)23(32)30(25)21-12-6-4-10-19(21)27/h1-12,24H,13-15H2/t24-/m0/s1
InChIKeyBHLDFBONUYEVPE-DEOSSOPVSA-N
XLogP5.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 41210663
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 40971974
3-(2,4-difluorophenyl)-2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 41124096
1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 25354554
N-ethyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2696020
1-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 17400749
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4814452
N-(cyclohexylmethyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2588869
3-(2-fluorophenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 7846354
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 2098057
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)acetamide
CID 3988661
N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 24898458

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one (CID 41355080) is 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one is O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N1CCS[C@H]1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
The InChIKey is BHLDFBONUYEVPE-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H19F2N3O2S2/c26-18-9-3-1-7-16(18)24-29(13-14-33-24)22(31)15-34-25-28-20-11-5-2-8-17(20)23(32)30(25)21-12-6-4-10-19(21)27/h1-12,24H,13-15H2/t24-/m0/s1.
What are the key properties of 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one?
3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one has a molecular weight of 495.58 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 41355080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).