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

C14H16N2S — CID 62549460

IUPAC2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1ccc(C)c(-c2nc3c(s2)CNCC3)c1
InChIInChI=1S/C14H16N2S/c1-9-3-4-10(2)11(7-9)14-16-12-5-6-15-8-13(12)17-14/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyFJSIRSZFTRKNNN-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.07
Rot. Bonds1

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

2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62549460) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62549460
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1ccc(C)c(-c2nc3c(s2)CNCC3)c1
InChIInChI=1S/C14H16N2S/c1-9-3-4-10(2)11(7-9)14-16-12-5-6-15-8-13(12)17-14/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyFJSIRSZFTRKNNN-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 62549460) is 2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Cc1ccc(C)c(-c2nc3c(s2)CNCC3)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is FJSIRSZFTRKNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-9-3-4-10(2)11(7-9)14-16-12-5-6-15-8-13(12)17-14/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 244.36 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62549460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).