ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

C19H21N3O2S — CID 4841154

IUPACethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2nc(N(CC)CC)sc12
InChIInChI=1S/C19H21N3O2S/c1-4-22(5-2)19-21-17-16(25-19)14(18(23)24-6-3)12-15(20-17)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3
InChIKeyGUAYXBOHGZCCLV-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.38
Rot. Bonds6

About ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (PubChem CID 4841154) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
PubChem CID4841154
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Nameethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2nc(N(CC)CC)sc12
InChIInChI=1S/C19H21N3O2S/c1-4-22(5-2)19-21-17-16(25-19)14(18(23)24-6-3)12-15(20-17)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3
InChIKeyGUAYXBOHGZCCLV-UHFFFAOYSA-N
XLogP4.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate (CID 4841154) is ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc2nc(N(CC)CC)sc12.
What is the InChIKey of ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
The InChIKey is GUAYXBOHGZCCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-22(5-2)19-21-17-16(25-19)14(18(23)24-6-3)12-15(20-17)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate?
ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 4841154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).