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

C11H17N3O2S — CID 79771838

IUPACethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C11H17N3O2S/c1-2-16-10(15)9-4-3-5-14(9)7-8-6-13-11(12)17-8/h6,9H,2-5,7H2,1H3,(H2,12,13)
InChIKeyIXMQFZBQSGAZRX-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.25
Rot. Bonds4

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

ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 79771838) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID79771838
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Nameethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1cnc(N)s1
InChIInChI=1S/C11H17N3O2S/c1-2-16-10(15)9-4-3-5-14(9)7-8-6-13-11(12)17-8/h6,9H,2-5,7H2,1H3,(H2,12,13)
InChIKeyIXMQFZBQSGAZRX-UHFFFAOYSA-N
XLogP1.25
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S)-1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylate
CID 58328464
methyl (2S)-1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylate
CID 58328496
methyl 3-[2-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]propanoate
CID 69336312
Ethyl 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylate
CID 76762020
Methyl 1-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-2-carboxylate
CID 76762030
Methyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771551
Ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79772666
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 94948782
5-[[2-(Methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118980287
5-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 130364612
Tert-butyl 5-(((r)-2-(methoxymethyl)pyrrolidin-1-yl)methyl)thiazol-2-ylcarbamate
CID 141485082
Methyl 2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-4-methylpentanoate
CID 43782238

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate (CID 79771838) is ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1Cc1cnc(N)s1.
What is the InChIKey of ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is IXMQFZBQSGAZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-16-10(15)9-4-3-5-14(9)7-8-6-13-11(12)17-8/h6,9H,2-5,7H2,1H3,(H2,12,13).
What are the key properties of ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate?
ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 79771838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).