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

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Related Compounds

ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 141349333
ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate
CID 166517255
methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate
CID 80571492
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
CID 82535099
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117089144
ethyl 2-[(2-chloro-4-pyridinyl)methylamino]-1,3-thiazole-5-carboxylate
CID 154842535
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117085541
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223

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).