(1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C20H21N3O3S2 — CID 10364545

IUPAC(1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCC(C)S(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C20H21N3O3S2/c1-13(2)28(25,26)23-11-16(15-7-3-4-8-18(15)23)19(24)17-12-27-20(22-17)14-6-5-9-21-10-14/h3-11,13,17,20,22H,12H2,1-2H3/t17-,20?/m0/s1
InChIKeyAXBLTMLEOPOZQK-DIMJTDRSSA-N
MW415.54 g/mol
LogP3.21
Rot. Bonds5

About (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

(1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10364545) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10364545
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name(1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCC(C)S(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C20H21N3O3S2/c1-13(2)28(25,26)23-11-16(15-7-3-4-8-18(15)23)19(24)17-12-27-20(22-17)14-6-5-9-21-10-14/h3-11,13,17,20,22H,12H2,1-2H3/t17-,20?/m0/s1
InChIKeyAXBLTMLEOPOZQK-DIMJTDRSSA-N
XLogP3.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10364545) is (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is CC(C)S(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is AXBLTMLEOPOZQK-DIMJTDRSSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-13(2)28(25,26)23-11-16(15-7-3-4-8-18(15)23)19(24)17-12-27-20(22-17)14-6-5-9-21-10-14/h3-11,13,17,20,22H,12H2,1-2H3/t17-,20?/m0/s1.
What are the key properties of (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
(1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 415.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10364545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).