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

C12H19N3O2S — CID 79771450

IUPACmethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCNc1ncc(CN2CCCC2C(=O)OC)s1
InChIInChI=1S/C12H19N3O2S/c1-3-13-12-14-7-9(18-12)8-15-6-4-5-10(15)11(16)17-2/h7,10H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyNHJCAXPYRZTVKW-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.71
Rot. Bonds5

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

methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 79771450) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID79771450
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCNc1ncc(CN2CCCC2C(=O)OC)s1
InChIInChI=1S/C12H19N3O2S/c1-3-13-12-14-7-9(18-12)8-15-6-4-5-10(15)11(16)17-2/h7,10H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyNHJCAXPYRZTVKW-UHFFFAOYSA-N
XLogP1.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
CID 79771652
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772491
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 103055728
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425
methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 80657147
tert-butyl N-[5-[[(2R)-2-methoxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamate
CID 174862620
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62028233
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
CID 78990366
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772211
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
methyl (2S)-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 56791543

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate (CID 79771450) is methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate is CCNc1ncc(CN2CCCC2C(=O)OC)s1.
What is the InChIKey of methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is NHJCAXPYRZTVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-13-12-14-7-9(18-12)8-15-6-4-5-10(15)11(16)17-2/h7,10H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate?
methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 79771450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).