[(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

C14H26N4O2S — CID 67506458

IUPAC[(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(CCO)CC2)CN1)N1CCSC1
InChIInChI=1S/C14H26N4O2S/c19-7-5-16-1-3-17(4-2-16)12-9-13(15-10-12)14(20)18-6-8-21-11-18/h12-13,15,19H,1-11H2/t12-,13-/m0/s1
InChIKeyUYIYDKAKMMAZIF-STQMWFEESA-N
MW314.46 g/mol
LogP-1.14
Rot. Bonds4

About [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

[(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 67506458) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID67506458
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name[(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(CCO)CC2)CN1)N1CCSC1
InChIInChI=1S/C14H26N4O2S/c19-7-5-16-1-3-17(4-2-16)12-9-13(15-10-12)14(20)18-6-8-21-11-18/h12-13,15,19H,1-11H2/t12-,13-/m0/s1
InChIKeyUYIYDKAKMMAZIF-STQMWFEESA-N
XLogP-1.14
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (CID 67506458) is [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is O=C([C@@H]1C[C@H](N2CCN(CCO)CC2)CN1)N1CCSC1.
What is the InChIKey of [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is UYIYDKAKMMAZIF-STQMWFEESA-N. The full InChI is InChI=1S/C14H26N4O2S/c19-7-5-16-1-3-17(4-2-16)12-9-13(15-10-12)14(20)18-6-8-21-11-18/h12-13,15,19H,1-11H2/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
[(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 314.46 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 67506458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).