methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate

C14H23N3O2S — CID 107039491

IUPACmethyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(C(C)(C)N2CCNCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-14(2,17-8-6-15-7-9-17)13-16-11(10-20-13)4-5-12(18)19-3/h10,15H,4-9H2,1-3H3
InChIKeyINKGRTGBSFWTOS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.39
Rot. Bonds5

About methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039491) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate
PubChem CID107039491
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Namemethyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(C(C)(C)N2CCNCC2)n1
InChIInChI=1S/C14H23N3O2S/c1-14(2,17-8-6-15-7-9-17)13-16-11(10-20-13)4-5-12(18)19-3/h10,15H,4-9H2,1-3H3
InChIKeyINKGRTGBSFWTOS-UHFFFAOYSA-N
XLogP1.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-(3-tert-butylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040610
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 103813479
methyl 3-[2-(3-methylpentan-3-ylamino)-1,3-thiazol-4-yl]propanoate
CID 106331944
ethyl 3-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485371
methyl 3-[2-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039847
methyl 3-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040319
methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate
CID 107040390
4-(4-methylphenyl)-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 63342649
2-(2-piperazin-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 64988735
methyl 3-[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 107040083
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate (CID 107039491) is methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(C(C)(C)N2CCNCC2)n1.
What is the InChIKey of methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is INKGRTGBSFWTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2,17-8-6-15-7-9-17)13-16-11(10-20-13)4-5-12(18)19-3/h10,15H,4-9H2,1-3H3.
What are the key properties of methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 297.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).