ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate

C20H25N3O3S — CID 29435932

IUPACethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-4-26-20(25)23-11-9-22(10-12-23)18(24)13-17-19(21-15(3)27-17)16-7-5-14(2)6-8-16/h5-8H,4,9-13H2,1-3H3
InChIKeyONWTZUUFJLNCPU-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.27
Rot. Bonds4

About ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate (PubChem CID 29435932) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate
PubChem CID29435932
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Nameethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-4-26-20(25)23-11-9-22(10-12-23)18(24)13-17-19(21-15(3)27-17)16-7-5-14(2)6-8-16/h5-8H,4,9-13H2,1-3H3
InChIKeyONWTZUUFJLNCPU-UHFFFAOYSA-N
XLogP3.27
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methyl-1,4-diazepan-1-yl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 78769683
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 86973888
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 55675538
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55620640
1-[3-(methylamino)piperidin-1-yl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone;dihydrochloride
CID 119488324
ethyl 4-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110329199
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 39911524
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505154
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)azetidin-1-yl]ethanone
CID 167941047
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
CID 51951575
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate (CID 29435932) is ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2sc(C)nc2-c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is ONWTZUUFJLNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-26-20(25)23-11-9-22(10-12-23)18(24)13-17-19(21-15(3)27-17)16-7-5-14(2)6-8-16/h5-8H,4,9-13H2,1-3H3.
What are the key properties of ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 387.51 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 29435932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).