N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide

C19H23N3O3S — CID 119852337

IUPACN-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C1CSCN1
InChIInChI=1S/C19H23N3O3S/c1-2-10-24-16-7-3-4-8-17(16)25-19-14(6-5-9-20-19)11-21-18(23)15-12-26-13-22-15/h3-9,15,22H,2,10-13H2,1H3,(H,21,23)
InChIKeyPHLQLWJMVOJKJY-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.94
Rot. Bonds8

About N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide

N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119852337) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119852337
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCOc1ccccc1Oc1ncccc1CNC(=O)C1CSCN1
InChIInChI=1S/C19H23N3O3S/c1-2-10-24-16-7-3-4-8-17(16)25-19-14(6-5-9-20-19)11-21-18(23)15-12-26-13-22-15/h3-9,15,22H,2,10-13H2,1H3,(H,21,23)
InChIKeyPHLQLWJMVOJKJY-UHFFFAOYSA-N
XLogP2.94
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 119852337) is N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide is CCCOc1ccccc1Oc1ncccc1CNC(=O)C1CSCN1.
What is the InChIKey of N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is PHLQLWJMVOJKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-10-24-16-7-3-4-8-17(16)25-19-14(6-5-9-20-19)11-21-18(23)15-12-26-13-22-15/h3-9,15,22H,2,10-13H2,1H3,(H,21,23).
What are the key properties of N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119852337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).