ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate

C6H7ClN2O2S — CID 53408088

IUPACethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)sc1N
InChIInChI=1S/C6H7ClN2O2S/c1-2-11-5(10)3-4(8)12-6(7)9-3/h2,8H2,1H3
InChIKeyFNKGRDMWAZPEMI-UHFFFAOYSA-N
MW206.65 g/mol
LogP1.56
Rot. Bonds2

About ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate (PubChem CID 53408088) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate
PubChem CID53408088
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Nameethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)sc1N
InChIInChI=1S/C6H7ClN2O2S/c1-2-11-5(10)3-4(8)12-6(7)9-3/h2,8H2,1H3
InChIKeyFNKGRDMWAZPEMI-UHFFFAOYSA-N
XLogP1.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-amino-2-chloro-1,3-thiazole-4-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 5-amino-2-chloro-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate (CID 53408088) is ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(Cl)sc1N.
What is the InChIKey of ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate?
The InChIKey is FNKGRDMWAZPEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c1-2-11-5(10)3-4(8)12-6(7)9-3/h2,8H2,1H3.
What are the key properties of ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate has a molecular weight of 206.65 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53408088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).