ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate

C24H28N4O3S2 — CID 87228723

IUPACethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate
SMILESCCOC(=O)C(Sc1cnc(Nc2nc(C)cs2)c(Oc2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C24H28N4O3S2/c1-3-30-23(29)21(17-9-11-25-12-10-17)33-19-13-20(31-18-7-5-4-6-8-18)22(26-14-19)28-24-27-16(2)15-32-24/h4-8,13-15,17,21,25H,3,9-12H2,1-2H3,(H,26,27,28)
InChIKeyPGHNVPSCEPDGML-UHFFFAOYSA-N
MW484.65 g/mol
LogP5.41
Rot. Bonds9

About ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate

ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate (PubChem CID 87228723) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate
PubChem CID87228723
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC Nameethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate
SMILESCCOC(=O)C(Sc1cnc(Nc2nc(C)cs2)c(Oc2ccccc2)c1)C1CCNCC1
InChIInChI=1S/C24H28N4O3S2/c1-3-30-23(29)21(17-9-11-25-12-10-17)33-19-13-20(31-18-7-5-4-6-8-18)22(26-14-19)28-24-27-16(2)15-32-24/h4-8,13-15,17,21,25H,3,9-12H2,1-2H3,(H,26,27,28)
InChIKeyPGHNVPSCEPDGML-UHFFFAOYSA-N
XLogP5.41
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate?
The IUPAC name of ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate (CID 87228723) is ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate.
What is the SMILES notation for ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate?
The canonical SMILES for ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate is CCOC(=O)C(Sc1cnc(Nc2nc(C)cs2)c(Oc2ccccc2)c1)C1CCNCC1.
What is the InChIKey of ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate?
The InChIKey is PGHNVPSCEPDGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-3-30-23(29)21(17-9-11-25-12-10-17)33-19-13-20(31-18-7-5-4-6-8-18)22(26-14-19)28-24-27-16(2)15-32-24/h4-8,13-15,17,21,25H,3,9-12H2,1-2H3,(H,26,27,28).
What are the key properties of ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate?
ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate has a molecular weight of 484.65 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-2-piperidin-4-ylacetate is sourced from PubChem (CID 87228723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).