ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate

C13H21N3O2S — CID 57037408

IUPACethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCNCC2)nc1C(C)C
InChIInChI=1S/C13H21N3O2S/c1-4-18-12(17)11-10(9(2)3)15-13(19-11)16-7-5-14-6-8-16/h9,14H,4-8H2,1-3H3
InChIKeyDVHRDNAVXBHONT-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate

ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 57037408) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate
PubChem CID57037408
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCNCC2)nc1C(C)C
InChIInChI=1S/C13H21N3O2S/c1-4-18-12(17)11-10(9(2)3)15-13(19-11)16-7-5-14-6-8-16/h9,14H,4-8H2,1-3H3
InChIKeyDVHRDNAVXBHONT-UHFFFAOYSA-N
XLogP1.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-piperazin-1-yl-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669529
ethyl 4-(difluoromethyl)-2-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 166341014
2-(azepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393406
4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 79393186
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
4-amino-N-(1-ethylsulfanylpropan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673565
ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-(5-piperazin-1-ylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 70881099
ethyl 4-[5-[(3R)-3-methylpiperazin-1-yl]pyrazin-2-yl]-2-piperidin-1-yl-1,3-thiazole-5-carboxylate
CID 70881056
4-amino-N-(2-methylpentan-2-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116672779
ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 67548912
ethyl 2-(4-butan-2-ylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526809
ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate
CID 90194836

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate (CID 57037408) is ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCNCC2)nc1C(C)C.
What is the InChIKey of ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is DVHRDNAVXBHONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-18-12(17)11-10(9(2)3)15-13(19-11)16-7-5-14-6-8-16/h9,14H,4-8H2,1-3H3.
What are the key properties of ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate?
ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperazin-1-yl-4-propan-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 57037408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).