ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

C19H19N3O2S — CID 4841153

IUPACethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCC3)sc12
InChIInChI=1S/C19H19N3O2S/c1-2-24-18(23)14-12-15(13-8-4-3-5-9-13)20-17-16(14)25-19(21-17)22-10-6-7-11-22/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyNIRQWXPTBRKHNX-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.14
Rot. Bonds4

About ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (PubChem CID 4841153) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
PubChem CID4841153
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Nameethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCC3)sc12
InChIInChI=1S/C19H19N3O2S/c1-2-24-18(23)14-12-15(13-8-4-3-5-9-13)20-17-16(14)25-19(21-17)22-10-6-7-11-22/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyNIRQWXPTBRKHNX-UHFFFAOYSA-N
XLogP4.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (CID 4841153) is ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCC3)sc12.
What is the InChIKey of ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The InChIKey is NIRQWXPTBRKHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-24-18(23)14-12-15(13-8-4-3-5-9-13)20-17-16(14)25-19(21-17)22-10-6-7-11-22/h3-5,8-9,12H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate has a molecular weight of 353.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 4841153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).