[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol

C17H18N2OS2 — CID 162651716

IUPAC[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol
SMILESCSc1cc(C(O)c2ccc3c(ccn3C)c2)cc(SC)n1
InChIInChI=1S/C17H18N2OS2/c1-19-7-6-11-8-12(4-5-14(11)19)17(20)13-9-15(21-2)18-16(10-13)22-3/h4-10,17,20H,1-3H3
InChIKeyBNWFPHZIZZEOIV-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.10
Rot. Bonds4

About [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol

[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol (PubChem CID 162651716) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol.

Molecular Properties

Compound Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol
PubChem CID162651716
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol
SMILESCSc1cc(C(O)c2ccc3c(ccn3C)c2)cc(SC)n1
InChIInChI=1S/C17H18N2OS2/c1-19-7-6-11-8-12(4-5-14(11)19)17(20)13-9-15(21-2)18-16(10-13)22-3/h4-10,17,20H,1-3H3
InChIKeyBNWFPHZIZZEOIV-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylindol-5-yl)ethanol
CID 83387761
2,3-dihydroxy-3-(1-methylindol-5-yl)propanenitrile
CID 171870442
5-butan-2-yl-1-methylindole;ethane
CID 143601269
bis(1-methylindol-5-yl)borinic acid
CID 140671665
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
CID 134968780
CID 134968780
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
5-iodo-1-methylindole
CID 11322835
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol?
The IUPAC name of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol (CID 162651716) is [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol.
What is the SMILES notation for [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol?
The canonical SMILES for [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol is CSc1cc(C(O)c2ccc3c(ccn3C)c2)cc(SC)n1.
What is the InChIKey of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol?
The InChIKey is BNWFPHZIZZEOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-19-7-6-11-8-12(4-5-14(11)19)17(20)13-9-15(21-2)18-16(10-13)22-3/h4-10,17,20H,1-3H3.
What are the key properties of [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol?
[2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol has a molecular weight of 330.48 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(methylsulfanyl)-4-pyridinyl]-(1-methylindol-5-yl)methanol is sourced from PubChem (CID 162651716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).