ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate

C8H12N2O2S — CID 59421479

IUPACethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc([C@@H](C)N)s1
InChIInChI=1S/C8H12N2O2S/c1-3-12-8(11)6-4-10-7(13-6)5(2)9/h4-5H,3,9H2,1-2H3/t5-/m1/s1
InChIKeyNVCNZNGSQJKWES-RXMQYKEDSA-N
MW200.26 g/mol
LogP1.34
Rot. Bonds3

About ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate

ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate (PubChem CID 59421479) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate
PubChem CID59421479
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc([C@@H](C)N)s1
InChIInChI=1S/C8H12N2O2S/c1-3-12-8(11)6-4-10-7(13-6)5(2)9/h4-5H,3,9H2,1-2H3/t5-/m1/s1
InChIKeyNVCNZNGSQJKWES-RXMQYKEDSA-N
XLogP1.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate (CID 59421479) is ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc([C@@H](C)N)s1.
What is the InChIKey of ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate?
The InChIKey is NVCNZNGSQJKWES-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-12-8(11)6-4-10-7(13-6)5(2)9/h4-5H,3,9H2,1-2H3/t5-/m1/s1.
What are the key properties of ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate?
ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59421479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).