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

C19H19N3OS — CID 10019976

IUPAC(1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C19H19N3OS/c1-2-22-11-15(14-7-3-4-8-17(14)22)18(23)16-12-24-19(21-16)13-6-5-9-20-10-13/h3-11,16,19,21H,2,12H2,1H3/t16-,19?/m0/s1
InChIKeyWXIGXEUIMTVEEY-UCFFOFKASA-N
MW337.45 g/mol
LogP3.64
Rot. Bonds4

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

(1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10019976) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10019976
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C19H19N3OS/c1-2-22-11-15(14-7-3-4-8-17(14)22)18(23)16-12-24-19(21-16)13-6-5-9-20-10-13/h3-11,16,19,21H,2,12H2,1H3/t16-,19?/m0/s1
InChIKeyWXIGXEUIMTVEEY-UCFFOFKASA-N
XLogP3.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10019976) is (1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is CCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of (1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is WXIGXEUIMTVEEY-UCFFOFKASA-N. The full InChI is InChI=1S/C19H19N3OS/c1-2-22-11-15(14-7-3-4-8-17(14)22)18(23)16-12-24-19(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-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
(1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 337.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10019976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).