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

C24H24N2O4S — CID 71293097

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
SMILESCc1ccccc1C1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1
InChIInChI=1S/C24H24N2O4S/c1-15-4-2-3-5-19(15)21-8-6-16-12-18(7-9-20(16)30-21)29-24-25-13-22(31-24)23(28)26-11-10-17(27)14-26/h2-5,7,9,12-13,17,21,27H,6,8,10-11,14H2,1H3/t17-,21?/m1/s1
InChIKeyDXXIQRWEBWJTJX-OQHSHRKDSA-N
MW436.53 g/mol
LogP4.52
Rot. Bonds4

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

[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone (PubChem CID 71293097) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
PubChem CID71293097
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
SMILESCc1ccccc1C1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1
InChIInChI=1S/C24H24N2O4S/c1-15-4-2-3-5-19(15)21-8-6-16-12-18(7-9-20(16)30-21)29-24-25-13-22(31-24)23(28)26-11-10-17(27)14-26/h2-5,7,9,12-13,17,21,27H,6,8,10-11,14H2,1H3/t17-,21?/m1/s1
InChIKeyDXXIQRWEBWJTJX-OQHSHRKDSA-N
XLogP4.52
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone (CID 71293097) is [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone is Cc1ccccc1C1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
The InChIKey is DXXIQRWEBWJTJX-OQHSHRKDSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-15-4-2-3-5-19(15)21-8-6-16-12-18(7-9-20(16)30-21)29-24-25-13-22(31-24)23(28)26-11-10-17(27)14-26/h2-5,7,9,12-13,17,21,27H,6,8,10-11,14H2,1H3/t17-,21?/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone has a molecular weight of 436.53 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 71293097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).