ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate

C15H13N3O3S — CID 10335843

IUPACethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-n2sc3ncccc3c2=O)cc1
InChIInChI=1S/C15H13N3O3S/c1-2-21-15(20)17-10-5-7-11(8-6-10)18-14(19)12-4-3-9-16-13(12)22-18/h3-9H,2H2,1H3,(H,17,20)
InChIKeyMXURCSQBKHCVEE-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.02
Rot. Bonds3

About ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate

ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate (PubChem CID 10335843) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
PubChem CID10335843
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Nameethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-n2sc3ncccc3c2=O)cc1
InChIInChI=1S/C15H13N3O3S/c1-2-21-15(20)17-10-5-7-11(8-6-10)18-14(19)12-4-3-9-16-13(12)22-18/h3-9H,2H2,1H3,(H,17,20)
InChIKeyMXURCSQBKHCVEE-UHFFFAOYSA-N
XLogP3.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate (CID 10335843) is ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate is CCOC(=O)Nc1ccc(-n2sc3ncccc3c2=O)cc1.
What is the InChIKey of ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate?
The InChIKey is MXURCSQBKHCVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-2-21-15(20)17-10-5-7-11(8-6-10)18-14(19)12-4-3-9-16-13(12)22-18/h3-9H,2H2,1H3,(H,17,20).
What are the key properties of ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate?
ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate has a molecular weight of 315.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate is sourced from PubChem (CID 10335843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).