ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate

C17H15N3O2S — CID 90643512

IUPACethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccncc2)nc1Nc1ccccc1
InChIInChI=1S/C17H15N3O2S/c1-2-22-17(21)14-15(19-13-6-4-3-5-7-13)20-16(23-14)12-8-10-18-11-9-12/h3-11,19H,2H2,1H3
InChIKeyJXELUNOJENGIHA-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.13
Rot. Bonds5

About ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate

ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 90643512) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID90643512
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Nameethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccncc2)nc1Nc1ccccc1
InChIInChI=1S/C17H15N3O2S/c1-2-22-17(21)14-15(19-13-6-4-3-5-7-13)20-16(23-14)12-8-10-18-11-9-12/h3-11,19H,2H2,1H3
InChIKeyJXELUNOJENGIHA-UHFFFAOYSA-N
XLogP4.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate (CID 90643512) is ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccncc2)nc1Nc1ccccc1.
What is the InChIKey of ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is JXELUNOJENGIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-22-17(21)14-15(19-13-6-4-3-5-7-13)20-16(23-14)12-8-10-18-11-9-12/h3-11,19H,2H2,1H3.
What are the key properties of ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-2-pyridin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90643512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).