2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

C18H22N2O2S — CID 10426787

IUPAC2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C([C@@H]1CSCN1C(=O)C1Cc2ccccc2C1)N1CCCC1
InChIInChI=1S/C18H22N2O2S/c21-17(15-9-13-5-1-2-6-14(13)10-15)20-12-23-11-16(20)18(22)19-7-3-4-8-19/h1-2,5-6,15-16H,3-4,7-12H2/t16-/m0/s1
InChIKeyWSVJCNROPWKXNO-INIZCTEOSA-N
MW330.45 g/mol
LogP1.93
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 10426787) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID10426787
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C([C@@H]1CSCN1C(=O)C1Cc2ccccc2C1)N1CCCC1
InChIInChI=1S/C18H22N2O2S/c21-17(15-9-13-5-1-2-6-14(13)10-15)20-12-23-11-16(20)18(22)19-7-3-4-8-19/h1-2,5-6,15-16H,3-4,7-12H2/t16-/m0/s1
InChIKeyWSVJCNROPWKXNO-INIZCTEOSA-N
XLogP1.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone (CID 10426787) is 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone is O=C([C@@H]1CSCN1C(=O)C1Cc2ccccc2C1)N1CCCC1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is WSVJCNROPWKXNO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c21-17(15-9-13-5-1-2-6-14(13)10-15)20-12-23-11-16(20)18(22)19-7-3-4-8-19/h1-2,5-6,15-16H,3-4,7-12H2/t16-/m0/s1.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 10426787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).