(2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

C16H17N3O2S2 — CID 37195672

IUPAC(2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
SMILESCSCc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C16H17N3O2S2/c1-9-14(11-6-4-5-7-12(11)17-9)15(20)10(2)23-16-19-18-13(21-16)8-22-3/h4-7,10,17H,8H2,1-3H3/t10-/m1/s1
InChIKeyZHSUYBGESJDZBZ-SNVBAGLBSA-N
MW347.47 g/mol
LogP4.09
Rot. Bonds6

About (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

(2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (PubChem CID 37195672) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
PubChem CID37195672
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name(2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
SMILESCSCc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C16H17N3O2S2/c1-9-14(11-6-4-5-7-12(11)17-9)15(20)10(2)23-16-19-18-13(21-16)8-22-3/h4-7,10,17H,8H2,1-3H3/t10-/m1/s1
InChIKeyZHSUYBGESJDZBZ-SNVBAGLBSA-N
XLogP4.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 25433777
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 46812712
(2R)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 41218687
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 7600434
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8633540
(3S)-3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
CID 95591919
ethyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 60600465
(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 7625622
3-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682279
3-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 26682281
1-(1H-indol-3-yl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 55602991
4-amino-2-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 135739724

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
The IUPAC name of (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one (CID 37195672) is (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one.
What is the SMILES notation for (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
The canonical SMILES for (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one is CSCc1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)o1.
What is the InChIKey of (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
The InChIKey is ZHSUYBGESJDZBZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-9-14(11-6-4-5-7-12(11)17-9)15(20)10(2)23-16-19-18-13(21-16)8-22-3/h4-7,10,17H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one?
(2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one has a molecular weight of 347.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-1H-indol-3-yl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one is sourced from PubChem (CID 37195672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).