2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine

C17H16N4OS — CID 91642725

IUPAC2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine
SMILESCc1cc2cc(NC(C)c3nc(-c4cccs4)no3)ccc2[nH]1
InChIInChI=1S/C17H16N4OS/c1-10-8-12-9-13(5-6-14(12)18-10)19-11(2)17-20-16(21-22-17)15-4-3-7-23-15/h3-9,11,18-19H,1-2H3
InChIKeyIHNPGWBECIJLSX-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.76
Rot. Bonds4

About 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine

2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine (PubChem CID 91642725) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine
PubChem CID91642725
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine
SMILESCc1cc2cc(NC(C)c3nc(-c4cccs4)no3)ccc2[nH]1
InChIInChI=1S/C17H16N4OS/c1-10-8-12-9-13(5-6-14(12)18-10)19-11(2)17-20-16(21-22-17)15-4-3-7-23-15/h3-9,11,18-19H,1-2H3
InChIKeyIHNPGWBECIJLSX-UHFFFAOYSA-N
XLogP4.76
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine with MolForge

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Related Compounds

5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one
CID 95299328
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 51078417
6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 71942292
[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol
CID 110888227
2-hydroxy-N-[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]acetamide
CID 111110044
3-fluoro-4-(2-methoxyphenoxy)-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60583139
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate
CID 166205393
5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 34282424
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine
CID 166249394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine?
The IUPAC name of 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine (CID 91642725) is 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine.
What is the SMILES notation for 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine?
The canonical SMILES for 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine is Cc1cc2cc(NC(C)c3nc(-c4cccs4)no3)ccc2[nH]1.
What is the InChIKey of 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine?
The InChIKey is IHNPGWBECIJLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-10-8-12-9-13(5-6-14(12)18-10)19-11(2)17-20-16(21-22-17)15-4-3-7-23-15/h3-9,11,18-19H,1-2H3.
What are the key properties of 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine?
2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine has a molecular weight of 324.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine is sourced from PubChem (CID 91642725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).