ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate

C17H26N4O3S — CID 51119730

IUPACethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CN2CCN(C(C)C(=O)NC3CC3)CC2)cs1
InChIInChI=1S/C17H26N4O3S/c1-3-24-17(23)16-19-14(11-25-16)10-20-6-8-21(9-7-20)12(2)15(22)18-13-4-5-13/h11-13H,3-10H2,1-2H3,(H,18,22)
InChIKeyYOUJQXQZPXMBDE-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.10
Rot. Bonds7

About ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate

ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate (PubChem CID 51119730) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate
PubChem CID51119730
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Nameethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CN2CCN(C(C)C(=O)NC3CC3)CC2)cs1
InChIInChI=1S/C17H26N4O3S/c1-3-24-17(23)16-19-14(11-25-16)10-20-6-8-21(9-7-20)12(2)15(22)18-13-4-5-13/h11-13H,3-10H2,1-2H3,(H,18,22)
InChIKeyYOUJQXQZPXMBDE-UHFFFAOYSA-N
XLogP1.10
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate with MolForge

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(2-morpholin-4-ylmethylthiazol-4-yl)-methanone
CID 11530172
(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
Ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51087087
Ethyl 4-[[4-(cyclohexylcarbamoyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51119828
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72933096
2-[[2-(Methoxymethyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 75423120
[2-(Aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-6-methylmorpholin-4-yl)methanone
CID 119751429
Ethyl 4-(4,4,4-trifluorobutan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 105945785
Ethyl 4-(3,3,3-trifluoropropylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 113553659
Ethyl 4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698182
2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120811548
2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 120811549

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate (CID 51119730) is ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(CN2CCN(C(C)C(=O)NC3CC3)CC2)cs1.
What is the InChIKey of ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate?
The InChIKey is YOUJQXQZPXMBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-3-24-17(23)16-19-14(11-25-16)10-20-6-8-21(9-7-20)12(2)15(22)18-13-4-5-13/h11-13H,3-10H2,1-2H3,(H,18,22).
What are the key properties of ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate has a molecular weight of 366.49 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 51119730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).