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

C19H19N3O3S2 — CID 10001117

IUPAC(1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCCS(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C19H19N3O3S2/c1-2-27(24,25)22-11-15(14-7-3-4-8-17(14)22)18(23)16-12-26-19(21-16)13-6-5-9-20-10-13/h3-11,16,19,21H,2,12H2,1H3/t16-,19?/m0/s1
InChIKeySDJLWIFRZRMKAI-UCFFOFKASA-N
MW401.51 g/mol
LogP2.82
Rot. Bonds5

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

(1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10001117) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10001117
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name(1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCCS(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C19H19N3O3S2/c1-2-27(24,25)22-11-15(14-7-3-4-8-17(14)22)18(23)16-12-26-19(21-16)13-6-5-9-20-10-13/h3-11,16,19,21H,2,12H2,1H3/t16-,19?/m0/s1
InChIKeySDJLWIFRZRMKAI-UCFFOFKASA-N
XLogP2.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10001117) is (1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is CCS(=O)(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of (1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is SDJLWIFRZRMKAI-UCFFOFKASA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-2-27(24,25)22-11-15(14-7-3-4-8-17(14)22)18(23)16-12-26-19(21-16)13-6-5-9-20-10-13/h3-11,16,19,21H,2,12H2,1H3/t16-,19?/m0/s1.
What are the key properties of (1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
(1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 401.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10001117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).