[2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C24H23FN2O4S — CID 71293093

IUPAC[2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1ccc(F)cc1C1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1
InChIInChI=1S/C24H23FN2O4S/c1-14-2-4-16(25)11-19(14)21-6-3-15-10-18(5-7-20(15)31-21)30-24-26-12-22(32-24)23(29)27-9-8-17(28)13-27/h2,4-5,7,10-12,17,21,28H,3,6,8-9,13H2,1H3/t17-,21?/m1/s1
InChIKeyRDZXKONQDDTKJP-OQHSHRKDSA-N
MW454.52 g/mol
LogP4.66
Rot. Bonds4

About [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 71293093) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID71293093
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC Name[2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1ccc(F)cc1C1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1
InChIInChI=1S/C24H23FN2O4S/c1-14-2-4-16(25)11-19(14)21-6-3-15-10-18(5-7-20(15)31-21)30-24-26-12-22(32-24)23(29)27-9-8-17(28)13-27/h2,4-5,7,10-12,17,21,28H,3,6,8-9,13H2,1H3/t17-,21?/m1/s1
InChIKeyRDZXKONQDDTKJP-OQHSHRKDSA-N
XLogP4.66
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 71293093) is [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cc1ccc(F)cc1C1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1.
What is the InChIKey of [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is RDZXKONQDDTKJP-OQHSHRKDSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-14-2-4-16(25)11-19(14)21-6-3-15-10-18(5-7-20(15)31-21)30-24-26-12-22(32-24)23(29)27-9-8-17(28)13-27/h2,4-5,7,10-12,17,21,28H,3,6,8-9,13H2,1H3/t17-,21?/m1/s1.
What are the key properties of [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 454.52 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 71293093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).