ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate

C13H21N3O2S — CID 79771652

IUPACethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCNc1ncc(CN2CCCC2C(=O)OCC)s1
InChIInChI=1S/C13H21N3O2S/c1-3-14-13-15-8-10(19-13)9-16-7-5-6-11(16)12(17)18-4-2/h8,11H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyYWWRPMYISFTTSG-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.10
Rot. Bonds6

About ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate

ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 79771652) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID79771652
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCNc1ncc(CN2CCCC2C(=O)OCC)s1
InChIInChI=1S/C13H21N3O2S/c1-3-14-13-15-8-10(19-13)9-16-7-5-6-11(16)12(17)18-4-2/h8,11H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyYWWRPMYISFTTSG-UHFFFAOYSA-N
XLogP2.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
CID 79771450
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772491
ethyl 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 80611294
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 62245302
ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
CID 79232010
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 103055728
ethyl 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62892694
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471209
tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
CID 174862620
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772211
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 55035250

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate (CID 79771652) is ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate is CCNc1ncc(CN2CCCC2C(=O)OCC)s1.
What is the InChIKey of ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is YWWRPMYISFTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-14-13-15-8-10(19-13)9-16-7-5-6-11(16)12(17)18-4-2/h8,11H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate?
ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 79771652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).