N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C18H27N5O2S — CID 47042408

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCN1CCN(c2ccc(CNC(=O)CCN3CCSC3=O)cn2)CC1
InChIInChI=1S/C18H27N5O2S/c1-2-21-7-9-22(10-8-21)16-4-3-15(13-19-16)14-20-17(24)5-6-23-11-12-26-18(23)25/h3-4,13H,2,5-12,14H2,1H3,(H,20,24)
InChIKeyNIWUONQBFIDXSL-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.40
Rot. Bonds7

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 47042408) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID47042408
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCN1CCN(c2ccc(CNC(=O)CCN3CCSC3=O)cn2)CC1
InChIInChI=1S/C18H27N5O2S/c1-2-21-7-9-22(10-8-21)16-4-3-15(13-19-16)14-20-17(24)5-6-23-11-12-26-18(23)25/h3-4,13H,2,5-12,14H2,1H3,(H,20,24)
InChIKeyNIWUONQBFIDXSL-UHFFFAOYSA-N
XLogP1.40
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 47042408) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCN1CCN(c2ccc(CNC(=O)CCN3CCSC3=O)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is NIWUONQBFIDXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-2-21-7-9-22(10-8-21)16-4-3-15(13-19-16)14-20-17(24)5-6-23-11-12-26-18(23)25/h3-4,13H,2,5-12,14H2,1H3,(H,20,24).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 377.51 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 47042408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).