5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole

C20H16N2S — CID 138963071

IUPAC5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
SMILESCc1ccc2c(c1)cc(Sc1ccccc1)n2-c1ccccn1
InChIInChI=1S/C20H16N2S/c1-15-10-11-18-16(13-15)14-20(23-17-7-3-2-4-8-17)22(18)19-9-5-6-12-21-19/h2-14H,1H3
InChIKeyOCNPFZLSXDWKRR-UHFFFAOYSA-N
MW316.43 g/mol
LogP5.49
Rot. Bonds3

About 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole

5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole (PubChem CID 138963071) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole.

Molecular Properties

Compound Name5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
PubChem CID138963071
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole
SMILESCc1ccc2c(c1)cc(Sc1ccccc1)n2-c1ccccn1
InChIInChI=1S/C20H16N2S/c1-15-10-11-18-16(13-15)14-20(23-17-7-3-2-4-8-17)22(18)19-9-5-6-12-21-19/h2-14H,1H3
InChIKeyOCNPFZLSXDWKRR-UHFFFAOYSA-N
XLogP5.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl-[4-(2-ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-amine
CID 10134696
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]-N-(2-phenylethyl)amine
CID 10200958
[4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-(3-phenyl-propyl)-amine
CID 10295242
4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-2-pyrrolidin-1-yl-pyridine
CID 11710028
2-Methyl-4-[1-(1-methylindol-5-yl)ethenyl]quinazoline
CID 118444689
11,13-Dimethyl-6-pyrrolidin-1-yl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 141760870
5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbonitrile
CID 162657318
5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole
CID 162658964
5-[(9-Ethylcarbazol-3-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
CID 44523360
5-(1H-indol-5-ylmethyl)-2-piperidin-1-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 45489033
4-N-cyclohexyl-6-methyl-2-N-[(1-methylindol-5-yl)methyl]pyrimidine-2,4-diamine
CID 46225977
6-[6-[Ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 122184471

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole?
The IUPAC name of 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole (CID 138963071) is 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole.
What is the SMILES notation for 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole?
The canonical SMILES for 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole is Cc1ccc2c(c1)cc(Sc1ccccc1)n2-c1ccccn1.
What is the InChIKey of 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole?
The InChIKey is OCNPFZLSXDWKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-15-10-11-18-16(13-15)14-20(23-17-7-3-2-4-8-17)22(18)19-9-5-6-12-21-19/h2-14H,1H3.
What are the key properties of 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole?
5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole has a molecular weight of 316.43 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylsulfanyl-1-pyridin-2-ylindole is sourced from PubChem (CID 138963071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).