(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride

C14H17ClN4OS — CID 6603500

IUPAC(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride
SMILESCCSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1.Cl
InChIInChI=1S/C14H16N4OS.ClH/c1-2-20-14-18-17-13(19-14)11(15)7-9-8-16-12-6-4-3-5-10(9)12;/h3-6,8,11,16H,2,7,15H2,1H3;1H/t11-;/m0./s1
InChIKeyNGPWNERVUAIASC-MERQFXBCSA-N
MW324.84 g/mol
LogP3.33
Rot. Bonds5

About (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride

(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 6603500) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID6603500
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride
SMILESCCSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1.Cl
InChIInChI=1S/C14H16N4OS.ClH/c1-2-20-14-18-17-13(19-14)11(15)7-9-8-16-12-6-4-3-5-10(9)12;/h3-6,8,11,16H,2,7,15H2,1H3;1H/t11-;/m0./s1
InChIKeyNGPWNERVUAIASC-MERQFXBCSA-N
XLogP3.33
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride with MolForge

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Related Compounds

(S)-2-(1H-indol-3-yl)-1-(5-(methylthio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 16187930
(S)-2-((5-(1-amino-2-(1H-indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)acetamide hydrochloride
CID 11957170
3-(5-(2-(1H-Indol-3-yl)ethyl)-1,3,4-oxadiazol-2-yl)-N-(4-ethylbenzyl)-N-methylpropanamide
CID 122643926
tert-butyl N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
CID 662616
tert-butyl N-[(1S)-1-[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate
CID 663256
2-({5-[(2-Methyl-1H-indol-3-YL)methyl]-1,3,4-oxadiazol-2-YL}sulfanyl)acetamide
CID 823260
[(S)-2-(1H-Indol-3-yl)-1-(5-isopropylsulfanyl-[1,3,4]oxadiazol-2-yl)-ethyl]-carbamic acid tert-butyl ester
CID 1992002
2-Methyl-3-{[5-(prop-2-EN-1-ylsulfanyl)-1,3,4-oxadiazol-2-YL]methyl}-1H-indole
CID 3436588
(S)-2-(1H-indol-3-yl)-1-(5-(isopropylthio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6602709
(S)-2-(1H-indol-3-yl)-1-(5-((2-methylallyl)thio)-1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
CID 6602710
(S)-1-(5-((4-chlorobenzyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine hydrochloride
CID 6602712
(1S)-1-[5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6602713

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride (CID 6603500) is (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride is CCSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1.Cl.
What is the InChIKey of (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is NGPWNERVUAIASC-MERQFXBCSA-N. The full InChI is InChI=1S/C14H16N4OS.ClH/c1-2-20-14-18-17-13(19-14)11(15)7-9-8-16-12-6-4-3-5-10(9)12;/h3-6,8,11,16H,2,7,15H2,1H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride?
(1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 324.84 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 6603500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).