(5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone

C24H21N3O2S — CID 14941102

IUPAC(5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSC(c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H21N3O2S/c28-24(21-16-30-23(26-21)19-7-4-11-25-14-19)27-12-10-18-13-20(8-9-22(18)27)29-15-17-5-2-1-3-6-17/h1-14,21,23,26H,15-16H2
InChIKeyCGDAQHGJRXOMFU-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.66
Rot. Bonds5

About (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone

(5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone (PubChem CID 14941102) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name(5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
PubChem CID14941102
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name(5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSC(c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H21N3O2S/c28-24(21-16-30-23(26-21)19-7-4-11-25-14-19)27-12-10-18-13-20(8-9-22(18)27)29-15-17-5-2-1-3-6-17/h1-14,21,23,26H,15-16H2
InChIKeyCGDAQHGJRXOMFU-UHFFFAOYSA-N
XLogP4.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone?
The IUPAC name of (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone (CID 14941102) is (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone is O=C(C1CSC(c2cccnc2)N1)n1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone?
The InChIKey is CGDAQHGJRXOMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-24(21-16-30-23(26-21)19-7-4-11-25-14-19)27-12-10-18-13-20(8-9-22(18)27)29-15-17-5-2-1-3-6-17/h1-14,21,23,26H,15-16H2.
What are the key properties of (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone?
(5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone has a molecular weight of 415.52 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 14941102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).