cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

C12H18N2O2S — CID 42745619

IUPACcyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CSCN1C(=O)C1CC1)N1CCCC1
InChIInChI=1S/C12H18N2O2S/c15-11(9-3-4-9)14-8-17-7-10(14)12(16)13-5-1-2-6-13/h9-10H,1-8H2
InChIKeyNYSOIHYLMZKHRY-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.92
Rot. Bonds2

About cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone

cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 42745619) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID42745619
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Namecyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CSCN1C(=O)C1CC1)N1CCCC1
InChIInChI=1S/C12H18N2O2S/c15-11(9-3-4-9)14-8-17-7-10(14)12(16)13-5-1-2-6-13/h9-10H,1-8H2
InChIKeyNYSOIHYLMZKHRY-UHFFFAOYSA-N
XLogP0.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone (CID 42745619) is cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone is O=C(C1CSCN1C(=O)C1CC1)N1CCCC1.
What is the InChIKey of cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is NYSOIHYLMZKHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-11(9-3-4-9)14-8-17-7-10(14)12(16)13-5-1-2-6-13/h9-10H,1-8H2.
What are the key properties of cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone?
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 254.35 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 42745619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).