ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate

C15H13N3O2S — CID 22423974

IUPACethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate
SMILESCCOC(=O)c1ccc(Nc2nc3cccnc3s2)cc1
InChIInChI=1S/C15H13N3O2S/c1-2-20-14(19)10-5-7-11(8-6-10)17-15-18-12-4-3-9-16-13(12)21-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyOGVBRAYGRYZZEX-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.61
Rot. Bonds4

About ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate

ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate (PubChem CID 22423974) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate
PubChem CID22423974
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Nameethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate
SMILESCCOC(=O)c1ccc(Nc2nc3cccnc3s2)cc1
InChIInChI=1S/C15H13N3O2S/c1-2-20-14(19)10-5-7-11(8-6-10)17-15-18-12-4-3-9-16-13(12)21-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyOGVBRAYGRYZZEX-UHFFFAOYSA-N
XLogP3.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate?
The IUPAC name of ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate (CID 22423974) is ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate.
What is the SMILES notation for ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate?
The canonical SMILES for ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate is CCOC(=O)c1ccc(Nc2nc3cccnc3s2)cc1.
What is the InChIKey of ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate?
The InChIKey is OGVBRAYGRYZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-14(19)10-5-7-11(8-6-10)17-15-18-12-4-3-9-16-13(12)21-15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate?
ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate has a molecular weight of 299.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)benzoate is sourced from PubChem (CID 22423974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).