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

C8H12N2S — CID 53211368

IUPAC2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCc1nc2c(s1)CNCC2
InChIInChI=1S/C8H12N2S/c1-2-8-10-6-3-4-9-5-7(6)11-8/h9H,2-5H2,1H3
InChIKeyNGVYCZJXHKDYGL-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.35
Rot. Bonds1

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

2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 53211368) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID53211368
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCc1nc2c(s1)CNCC2
InChIInChI=1S/C8H12N2S/c1-2-8-10-6-3-4-9-5-7(6)11-8/h9H,2-5H2,1H3
InChIKeyNGVYCZJXHKDYGL-UHFFFAOYSA-N
XLogP1.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 53211368) is 2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CCc1nc2c(s1)CNCC2.
What is the InChIKey of 2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is NGVYCZJXHKDYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-8-10-6-3-4-9-5-7(6)11-8/h9H,2-5H2,1H3.
What are the key properties of 2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 168.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 53211368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).