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

C23H22N2O4S — CID 71293258

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)N1CC[C@@H](O)C1
InChIInChI=1S/C23H22N2O4S/c26-17-10-11-25(14-17)22(27)21-13-24-23(30-21)28-18-7-9-20-16(12-18)6-8-19(29-20)15-4-2-1-3-5-15/h1-5,7,9,12-13,17,19,26H,6,8,10-11,14H2/t17-,19?/m1/s1
InChIKeyLXUSSEXNMUCOQU-DUSLRRAJSA-N
MW422.51 g/mol
LogP4.21
Rot. Bonds4

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

[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone (PubChem CID 71293258) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[(2-phenyl-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-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone
PubChem CID71293258
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)N1CC[C@@H](O)C1
InChIInChI=1S/C23H22N2O4S/c26-17-10-11-25(14-17)22(27)21-13-24-23(30-21)28-18-7-9-20-16(12-18)6-8-19(29-20)15-4-2-1-3-5-15/h1-5,7,9,12-13,17,19,26H,6,8,10-11,14H2/t17-,19?/m1/s1
InChIKeyLXUSSEXNMUCOQU-DUSLRRAJSA-N
XLogP4.21
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.21
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-phenyl-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-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone (CID 71293258) is [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[(2-phenyl-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-phenyl-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-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone is O=C(c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)N1CC[C@@H](O)C1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone?
The InChIKey is LXUSSEXNMUCOQU-DUSLRRAJSA-N. The full InChI is InChI=1S/C23H22N2O4S/c26-17-10-11-25(14-17)22(27)21-13-24-23(30-21)28-18-7-9-20-16(12-18)6-8-19(29-20)15-4-2-1-3-5-15/h1-5,7,9,12-13,17,19,26H,6,8,10-11,14H2/t17-,19?/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone has a molecular weight of 422.51 g/mol, XLogP of 4.21, 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-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 71293258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).