(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine

C14H15N5OS — CID 99834031

IUPAC(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESC[C@@H](NCc1csnn1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H15N5OS/c1-10(15-8-12-9-21-19-17-12)14-16-13(18-20-14)7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8H2,1H3/t10-/m1/s1
InChIKeyRNDSQTFQZDWQCA-SNVBAGLBSA-N
MW301.38 g/mol
LogP2.36
Rot. Bonds6

About (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine

(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 99834031) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID99834031
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESC[C@@H](NCc1csnn1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H15N5OS/c1-10(15-8-12-9-21-19-17-12)14-16-13(18-20-14)7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8H2,1H3/t10-/m1/s1
InChIKeyRNDSQTFQZDWQCA-SNVBAGLBSA-N
XLogP2.36
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Phenyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 2739131
4-ethyl-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiadiazole-5-carboxamide
CID 49179497
N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]thiadiazole-4-carboxamide
CID 75503823
4-ethyl-N-[(1S)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiadiazole-5-carboxamide
CID 95296108
4-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]thiadiazole-5-carboxamide
CID 95296109
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 99833857
(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 99833858
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 119035254
N-Methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-YL]methyl}-1,2,3-thiadiazole-4-carboxamide
CID 50973868
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61043972
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 61285385
1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62900546

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 99834031) is (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine is C[C@@H](NCc1csnn1)c1nc(Cc2ccccc2)no1.
What is the InChIKey of (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is RNDSQTFQZDWQCA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-10(15-8-12-9-21-19-17-12)14-16-13(18-20-14)7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 301.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 99834031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).