(4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C24H21N3O2S — CID 10001907

IUPAC(4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1c[nH]c2cccc(OCc3ccccc3)c12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C24H21N3O2S/c28-23(20-15-30-24(27-20)17-8-5-11-25-12-17)18-13-26-19-9-4-10-21(22(18)19)29-14-16-6-2-1-3-7-16/h1-13,20,24,26-27H,14-15H2/t20-,24?/m0/s1
InChIKeyMKNKCLADYGHTCU-QHELBMECSA-N
MW415.52 g/mol
LogP4.73
Rot. Bonds6

About (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

(4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10001907) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10001907
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name(4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1c[nH]c2cccc(OCc3ccccc3)c12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C24H21N3O2S/c28-23(20-15-30-24(27-20)17-8-5-11-25-12-17)18-13-26-19-9-4-10-21(22(18)19)29-14-16-6-2-1-3-7-16/h1-13,20,24,26-27H,14-15H2/t20-,24?/m0/s1
InChIKeyMKNKCLADYGHTCU-QHELBMECSA-N
XLogP4.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10001907) is (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is O=C(c1c[nH]c2cccc(OCc3ccccc3)c12)[C@@H]1CSC(c2cccnc2)N1.
What is the InChIKey of (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is MKNKCLADYGHTCU-QHELBMECSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-23(20-15-30-24(27-20)17-8-5-11-25-12-17)18-13-26-19-9-4-10-21(22(18)19)29-14-16-6-2-1-3-7-16/h1-13,20,24,26-27H,14-15H2/t20-,24?/m0/s1.
What are the key properties of (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
(4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 415.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxy-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10001907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).