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

C13H15N3S — CID 712072

IUPAC(5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESC[C@@H]1CSc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C13H15N3S/c1-10-9-17-13-15-14-12(16(10)13)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m1/s1
InChIKeyQSUAGNJQFXXFJQ-SNVBAGLBSA-N
MW245.35 g/mol
LogP2.73
Rot. Bonds3

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

(5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 712072) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is (5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name(5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID712072
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name(5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESC[C@@H]1CSc2nnc(CCc3ccccc3)n21
InChIInChI=1S/C13H15N3S/c1-10-9-17-13-15-14-12(16(10)13)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m1/s1
InChIKeyQSUAGNJQFXXFJQ-SNVBAGLBSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(5S)-5-methyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 163305891
(5S)-7-benzyl-5-methyl-3-(2-phenylethyl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163314441
4-[[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]sulfonyl]morpholine
CID 164689158
6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine
CID 165418876
1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridin-4-ylpropan-1-one
CID 164692866
[3-(hydroxymethyl)azetidin-3-yl]-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164687906
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164695860
(4-hydroxy-3,5-dimethylphenyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697869
(6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 165422600
benzene;2-phenylethylbenzene
CID 18982764
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[(2S)-piperazin-2-yl]methanone
CID 164700362
4-cyclopropyl-3-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
CID 113300185

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of (5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 712072) is (5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for (5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for (5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is C[C@@H]1CSc2nnc(CCc3ccccc3)n21.
What is the InChIKey of (5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is QSUAGNJQFXXFJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3S/c1-10-9-17-13-15-14-12(16(10)13)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m1/s1.
What are the key properties of (5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
(5R)-5-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 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-(2-phenylethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 712072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).