3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C15H21N5O2S — CID 120949846

IUPAC3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1
InChIInChI=1S/C15H21N5O2S/c21-14(8-18-10-23-9-15(18)22)20-5-1-2-12(20)6-19-7-13(16-17-19)11-3-4-11/h7,11-12H,1-6,8-10H2/t12-/m0/s1
InChIKeyIDSPYCJNRDEAEJ-LBPRGKRZSA-N
MW335.43 g/mol
LogP0.68
Rot. Bonds5

About 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 120949846) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID120949846
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1
InChIInChI=1S/C15H21N5O2S/c21-14(8-18-10-23-9-15(18)22)20-5-1-2-12(20)6-19-7-13(16-17-19)11-3-4-11/h7,11-12H,1-6,8-10H2/t12-/m0/s1
InChIKeyIDSPYCJNRDEAEJ-LBPRGKRZSA-N
XLogP0.68
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 120949846) is 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is O=C1CSCN1CC(=O)N1CCC[C@H]1Cn1cc(C2CC2)nn1.
What is the InChIKey of 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is IDSPYCJNRDEAEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O2S/c21-14(8-18-10-23-9-15(18)22)20-5-1-2-12(20)6-19-7-13(16-17-19)11-3-4-11/h7,11-12H,1-6,8-10H2/t12-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 335.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 120949846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).