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

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Launch Full Analysis

Related Compounds

4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 24765373
N-[5-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-4-ylsulfanyl)-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;methane
CID 157213899
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
N-[5-(3-methoxyphenyl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 24764712
ethyl 4-chloro-3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylsulfanyl-3-pyridinyl]oxy]benzoate
CID 86631477
N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87228881
2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide;dihydrochloride
CID 87228998
4-chloro-3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylsulfanyl-3-pyridinyl]oxy]benzoic acid
CID 24764897
4-cyclopropyl-N-(3-phenoxy-5-pyridin-4-ylsulfanyl-2-pyridinyl)-1,3-thiazol-2-amine;dihydrochloride
CID 87228822
4-methyl-N-[5-(2-phenylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 16660841
1-(4-methylpiperazin-1-yl)-2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenylmethoxy-3-pyridinyl]sulfanyl]ethanone
CID 16661005
1-[4-[2-[[5-(3-methylimidazo[4,5-b]pyridin-7-yl)sulfanyl-3-phenoxy-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 59291790

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).