ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

C9H12N2O2S — CID 53393419

IUPACethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(s1)CNCC2
InChIInChI=1S/C9H12N2O2S/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8/h10H,2-5H2,1H3
InChIKeyHDNCYFXHUOPWMW-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.97
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (PubChem CID 53393419) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
PubChem CID53393419
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Nameethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(s1)CNCC2
InChIInChI=1S/C9H12N2O2S/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8/h10H,2-5H2,1H3
InChIKeyHDNCYFXHUOPWMW-UHFFFAOYSA-N
XLogP0.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (CID 53393419) is ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is CCOC(=O)c1nc2c(s1)CNCC2.
What is the InChIKey of ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The InChIKey is HDNCYFXHUOPWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8/h10H,2-5H2,1H3.
What are the key properties of ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate has a molecular weight of 212.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 53393419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).