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

C12H12N2S — CID 22337487

IUPAC2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(-c2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C12H12N2S/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2
InChIKeyZWIKGWINLWHWRV-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.46
Rot. Bonds1

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

2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 22337487) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID22337487
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESc1ccc(-c2nc3c(s2)CNCC3)cc1
InChIInChI=1S/C12H12N2S/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2
InChIKeyZWIKGWINLWHWRV-UHFFFAOYSA-N
XLogP2.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 22337487) is 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is c1ccc(-c2nc3c(s2)CNCC3)cc1.
What is the InChIKey of 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is ZWIKGWINLWHWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-4-9(5-3-1)12-14-10-6-7-13-8-11(10)15-12/h1-5,13H,6-8H2.
What are the key properties of 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 216.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 22337487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).