ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate

C14H21N3O3S — CID 101012113

IUPACethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCN2CCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-2-20-13(19)9-11-10-21-14(15-11)16-12(18)5-8-17-6-3-4-7-17/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyAGECZLRSXTVLOK-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.67
Rot. Bonds7

About ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 101012113) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID101012113
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCN2CCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-2-20-13(19)9-11-10-21-14(15-11)16-12(18)5-8-17-6-3-4-7-17/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyAGECZLRSXTVLOK-UHFFFAOYSA-N
XLogP1.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282
ethyl 2-[2-[3-(1,2,4-triazol-1-yl)propanoylamino]-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-(3-propoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62715817
ethyl 2-[2-(pent-4-enoylamino)-1,3-thiazol-4-yl]acetate
CID 51106392
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
CID 30341383
ethyl 2-[2-[[2-[(3S)-3-(methoxymethyl)piperidin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 94920563
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019287
ethyl 2-[2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574664
ethyl 2-[2-[(1-methylcyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 78909599
ethyl 2-[2-[[2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 90561837

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate (CID 101012113) is ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CCN2CCCC2)n1.
What is the InChIKey of ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is AGECZLRSXTVLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-20-13(19)9-11-10-21-14(15-11)16-12(18)5-8-17-6-3-4-7-17/h10H,2-9H2,1H3,(H,15,16,18).
What are the key properties of ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 311.41 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-pyrrolidin-1-ylpropanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 101012113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).