2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide

C17H22N4O2S — CID 97455361

IUPAC2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide
SMILESCSCC[C@H](O)c1nc(CC(N)=O)nn1C1Cc2ccccc2C1
InChIInChI=1S/C17H22N4O2S/c1-24-7-6-14(22)17-19-16(10-15(18)23)20-21(17)13-8-11-4-2-3-5-12(11)9-13/h2-5,13-14,22H,6-10H2,1H3,(H2,18,23)/t14-/m0/s1
InChIKeyPWNODSHREWKARP-AWEZNQCLSA-N
MW346.46 g/mol
LogP1.43
Rot. Bonds7

About 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide

2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 97455361) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID97455361
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide
SMILESCSCC[C@H](O)c1nc(CC(N)=O)nn1C1Cc2ccccc2C1
InChIInChI=1S/C17H22N4O2S/c1-24-7-6-14(22)17-19-16(10-15(18)23)20-21(17)13-8-11-4-2-3-5-12(11)9-13/h2-5,13-14,22H,6-10H2,1H3,(H2,18,23)/t14-/m0/s1
InChIKeyPWNODSHREWKARP-AWEZNQCLSA-N
XLogP1.43
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
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CID 97269576
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CID 107126374
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CID 70758751
2-[5-[(3R)-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 97436257
11,13-dimethyl-11,13-diazatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 59712102
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide (CID 97455361) is 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide is CSCC[C@H](O)c1nc(CC(N)=O)nn1C1Cc2ccccc2C1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is PWNODSHREWKARP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-24-7-6-14(22)17-19-16(10-15(18)23)20-21(17)13-8-11-4-2-3-5-12(11)9-13/h2-5,13-14,22H,6-10H2,1H3,(H2,18,23)/t14-/m0/s1.
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 97455361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).