6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

C13H15N3S — CID 2973202

IUPAC6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC1Cn2c(CCc3ccccc3)nnc2S1
InChIInChI=1S/C13H15N3S/c1-10-9-16-12(14-15-13(16)17-10)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyYVVIWFGQNRUPFH-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.56
Rot. Bonds3

About 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 2973202) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID2973202
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC1Cn2c(CCc3ccccc3)nnc2S1
InChIInChI=1S/C13H15N3S/c1-10-9-16-12(14-15-13(16)17-10)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyYVVIWFGQNRUPFH-UHFFFAOYSA-N
XLogP2.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 2973202) is 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is CC1Cn2c(CCc3ccccc3)nnc2S1.
What is the InChIKey of 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is YVVIWFGQNRUPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-10-9-16-12(14-15-13(16)17-10)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 245.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 2973202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).