ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate

C19H23N3O3S2 — CID 8899507

IUPACethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCC(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O3S2/c1-2-25-18(24)12-15-13-26-19(20-15)27-14-17(23)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,13H,2,8-12,14H2,1H3
InChIKeyJDKUYXJBTUYOAN-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.69
Rot. Bonds7

About ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 8899507) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
PubChem CID8899507
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Nameethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCC(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O3S2/c1-2-25-18(24)12-15-13-26-19(20-15)27-14-17(23)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,13H,2,8-12,14H2,1H3
InChIKeyJDKUYXJBTUYOAN-UHFFFAOYSA-N
XLogP2.69
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

Ethyl (2-{[(4-phenyl-1-piperazinyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 6467578
Ethyl 2-[2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2998339
Ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 5140468
2-[[5-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 2568437
3-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(4-thiazolyl)ethyl)-, methyl ester
CID 3074348
Ethyl 2-[2-[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 24818111
1-[4-[4-(Dimethylamino)phenyl]piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72124761
Ethyl 2-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 2484611
ethyl 2-[2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 4781183
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 16250614
N-(4-acetamidophenyl)-2-((4-(2-oxo-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl)thiazol-2-yl)thio)acetamide
CID 16898681
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 53561678

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 8899507) is ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SCC(=O)N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The InChIKey is JDKUYXJBTUYOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-2-25-18(24)12-15-13-26-19(20-15)27-14-17(23)22-10-8-21(9-11-22)16-6-4-3-5-7-16/h3-7,13H,2,8-12,14H2,1H3.
What are the key properties of ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 405.55 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8899507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).