ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate

C16H14N4O2S — CID 169101815

IUPACethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2cccc(-c3ccccn3)n2)s1
InChIInChI=1S/C16H14N4O2S/c1-2-22-15(21)13-10-18-16(23-13)20-14-8-5-7-12(19-14)11-6-3-4-9-17-11/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyVFOOFVFDCSLZBV-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.52
Rot. Bonds5

About ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate

ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 169101815) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID169101815
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Nameethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2cccc(-c3ccccn3)n2)s1
InChIInChI=1S/C16H14N4O2S/c1-2-22-15(21)13-10-18-16(23-13)20-14-8-5-7-12(19-14)11-6-3-4-9-17-11/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyVFOOFVFDCSLZBV-UHFFFAOYSA-N
XLogP3.52
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate (CID 169101815) is ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(Nc2cccc(-c3ccccn3)n2)s1.
What is the InChIKey of ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is VFOOFVFDCSLZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-2-22-15(21)13-10-18-16(23-13)20-14-8-5-7-12(19-14)11-6-3-4-9-17-11/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 326.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-pyridin-2-yl-2-pyridinyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 169101815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).