ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate

C11H11N3O2S — CID 143301188

IUPACethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2ccncc2)s1
InChIInChI=1S/C11H11N3O2S/c1-2-16-10(15)9-7-13-11(17-9)14-8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyLZDPONXPBMUVOR-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.46
Rot. Bonds4

About ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate

ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 143301188) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID143301188
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Nameethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2ccncc2)s1
InChIInChI=1S/C11H11N3O2S/c1-2-16-10(15)9-7-13-11(17-9)14-8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,12,13,14)
InChIKeyLZDPONXPBMUVOR-UHFFFAOYSA-N
XLogP2.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(pyridin-4-ylamino)-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-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate (CID 143301188) is ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(Nc2ccncc2)s1.
What is the InChIKey of ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is LZDPONXPBMUVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-16-10(15)9-7-13-11(17-9)14-8-3-5-12-6-4-8/h3-7H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate?
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 143301188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).