2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate

C26H34N2O4S — CID 58541389

IUPAC2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate
SMILESCc1ccc(CC(=O)Cc2nc(CCC(=O)OCCN(C)C)cs2)c(C(=O)C2CCCC2)c1
InChIInChI=1S/C26H34N2O4S/c1-18-8-9-20(23(14-18)26(31)19-6-4-5-7-19)15-22(29)16-24-27-21(17-33-24)10-11-25(30)32-13-12-28(2)3/h8-9,14,17,19H,4-7,10-13,15-16H2,1-3H3
InChIKeyVIXNZULHDWUSGK-UHFFFAOYSA-N
MW470.64 g/mol
LogP4.22
Rot. Bonds12

About 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate

2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate (PubChem CID 58541389) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate
PubChem CID58541389
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC Name2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate
SMILESCc1ccc(CC(=O)Cc2nc(CCC(=O)OCCN(C)C)cs2)c(C(=O)C2CCCC2)c1
InChIInChI=1S/C26H34N2O4S/c1-18-8-9-20(23(14-18)26(31)19-6-4-5-7-19)15-22(29)16-24-27-21(17-33-24)10-11-25(30)32-13-12-28(2)3/h8-9,14,17,19H,4-7,10-13,15-16H2,1-3H3
InChIKeyVIXNZULHDWUSGK-UHFFFAOYSA-N
XLogP4.22
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[3-[2-(cyclohexanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
CID 58541276
1-[[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]methyl]-3-[2-(dimethylamino)ethyl]urea
CID 58541434
1-[2-(cyclopentanecarbonyl)-4-methylphenyl]-3-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]propan-2-one
CID 58541150
ethyl 2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazole-4-carboxylate
CID 58541179
3-[4-[[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanoic acid
CID 58541413
ethyl 2-[2-[3-[4-bromo-2-(cyclopentanecarbonyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
CID 58541545
4-[[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]methylsulfamoyl]benzoic acid
CID 58541301
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-yl]-3-[2-(cyclopentanecarbonyl)-4-methylphenyl]urea
CID 59732910
ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 84566781
methyl 2-[2-[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-4-yl]ethylamino]acetate
CID 59732809
2-(dimethylamino)ethyl N-[[2-[[2-(cyclopentanecarbonyl)-4-methylphenyl]carbamoylamino]-1,3-thiazol-5-yl]methyl]carbamate
CID 87231191
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate (CID 58541389) is 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate is Cc1ccc(CC(=O)Cc2nc(CCC(=O)OCCN(C)C)cs2)c(C(=O)C2CCCC2)c1.
What is the InChIKey of 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate?
The InChIKey is VIXNZULHDWUSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-18-8-9-20(23(14-18)26(31)19-6-4-5-7-19)15-22(29)16-24-27-21(17-33-24)10-11-25(30)32-13-12-28(2)3/h8-9,14,17,19H,4-7,10-13,15-16H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate?
2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate has a molecular weight of 470.64 g/mol, XLogP of 4.22, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-[2-[3-[2-(cyclopentanecarbonyl)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 58541389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).