ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate

C13H19N3O3S — CID 110853966

IUPACethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nc(C)sc2C)CC1
InChIInChI=1S/C13H19N3O3S/c1-4-19-13(18)16-7-5-15(6-8-16)12(17)11-9(2)20-10(3)14-11/h4-8H2,1-3H3
InChIKeyGURHYOYTZCASET-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.67
Rot. Bonds2

About ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate

ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 110853966) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID110853966
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nameethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2nc(C)sc2C)CC1
InChIInChI=1S/C13H19N3O3S/c1-4-19-13(18)16-7-5-15(6-8-16)12(17)11-9(2)20-10(3)14-11/h4-8H2,1-3H3
InChIKeyGURHYOYTZCASET-UHFFFAOYSA-N
XLogP1.67
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate
CID 51083211
Ethyl 4-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 72841569
N,N-Diethyl-2,5-dimethyl-4-thiazolecarboxamide
CID 13835318
N-(3-Methoxypropyl)-2,5-dimethyl-N-(1-methylpiperidin-4-YL)-1,3-thiazole-4-carboxamide
CID 74237994
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 74238464
4-[(2,5-Dimethyl-1,3-thiazol-4-yl)carbonyl]thiomorpholine
CID 77091869
N-(3-isopropoxypropyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 77092759
N-[2-(isopropylamino)-2-oxoethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 77097451
[(2R)-2-(aminomethyl)piperidin-1-yl]-(2,5-dimethyl-1,3-thiazol-4-yl)methanone
CID 97940036
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methanone
CID 129379933
2,5-Dimethyl-4-(pyrrolidine-1-carbonyl)-1,3-thiazole
CID 84589611
(2,4-Dimethyl-1,3-thiazol-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
CID 48425185

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate (CID 110853966) is ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2nc(C)sc2C)CC1.
What is the InChIKey of ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is GURHYOYTZCASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-4-19-13(18)16-7-5-15(6-8-16)12(17)11-9(2)20-10(3)14-11/h4-8H2,1-3H3.
What are the key properties of ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate?
ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 110853966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).