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

C20H26N2O2S — CID 10406121

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C([C@@H]1CSCN1C(=O)CCC1Cc2ccccc2C1)N1CCCC1
InChIInChI=1S/C20H26N2O2S/c23-19(8-7-15-11-16-5-1-2-6-17(16)12-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t18-/m0/s1
InChIKeyMBHHSYLJUPVCDU-SFHVURJKSA-N
MW358.51 g/mol
LogP2.71
Rot. Bonds4

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

3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 10406121) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID10406121
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESO=C([C@@H]1CSCN1C(=O)CCC1Cc2ccccc2C1)N1CCCC1
InChIInChI=1S/C20H26N2O2S/c23-19(8-7-15-11-16-5-1-2-6-17(16)12-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t18-/m0/s1
InChIKeyMBHHSYLJUPVCDU-SFHVURJKSA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 10406121) is 3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one is O=C([C@@H]1CSCN1C(=O)CCC1Cc2ccccc2C1)N1CCCC1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is MBHHSYLJUPVCDU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O2S/c23-19(8-7-15-11-16-5-1-2-6-17(16)12-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t18-/m0/s1.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 358.51 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 10406121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).