2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C14H22N2S — CID 65413627

IUPAC2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCC1CCCC(c2nc3c(s2)CNCC3)C1
InChIInChI=1S/C14H22N2S/c1-2-10-4-3-5-11(8-10)14-16-12-6-7-15-9-13(12)17-14/h10-11,15H,2-9H2,1H3
InChIKeyURUWDJOUHKRSIF-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.47
Rot. Bonds2

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

2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 65413627) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID65413627
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCC1CCCC(c2nc3c(s2)CNCC3)C1
InChIInChI=1S/C14H22N2S/c1-2-10-4-3-5-11(8-10)14-16-12-6-7-15-9-13(12)17-14/h10-11,15H,2-9H2,1H3
InChIKeyURUWDJOUHKRSIF-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 65413627) is 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CCC1CCCC(c2nc3c(s2)CNCC3)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is URUWDJOUHKRSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-2-10-4-3-5-11(8-10)14-16-12-6-7-15-9-13(12)17-14/h10-11,15H,2-9H2,1H3.
What are the key properties of 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 250.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 65413627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).