(1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

C19H17N3OS2 — CID 9051645

IUPAC(1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@@H](N[C@@H](c1ccccc1)c1cccs1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C19H17N3OS2/c1-13(18-21-22-19(23-18)16-10-6-12-25-16)20-17(15-9-5-11-24-15)14-7-3-2-4-8-14/h2-13,17,20H,1H3/t13-,17+/m1/s1
InChIKeyNPQPALBZPCYDHD-DYVFJYSZSA-N
MW367.50 g/mol
LogP5.30
Rot. Bonds6

About (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine

(1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 9051645) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID9051645
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name(1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@@H](N[C@@H](c1ccccc1)c1cccs1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C19H17N3OS2/c1-13(18-21-22-19(23-18)16-10-6-12-25-16)20-17(15-9-5-11-24-15)14-7-3-2-4-8-14/h2-13,17,20H,1H3/t13-,17+/m1/s1
InChIKeyNPQPALBZPCYDHD-DYVFJYSZSA-N
XLogP5.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 8769570
(1R)-1-(4-chlorophenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9043981
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 8869846
2-methoxy-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 41042211
(1S)-1-(3-bromo-4-methoxyphenyl)-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9001707
(1R)-1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9001715
[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2,2-diphenylacetate
CID 7699767
(1S)-N-[phenyl(pyridin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81388446
(2R)-2-phenyl-4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 94820850
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-benzamidoacetate
CID 7696157

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 9051645) is (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is C[C@@H](N[C@@H](c1ccccc1)c1cccs1)c1nnc(-c2cccs2)o1.
What is the InChIKey of (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is NPQPALBZPCYDHD-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-13(18-21-22-19(23-18)16-10-6-12-25-16)20-17(15-9-5-11-24-15)14-7-3-2-4-8-14/h2-13,17,20H,1H3/t13-,17+/m1/s1.
What are the key properties of (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine?
(1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 367.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 9051645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).