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

C10H13N3OS — CID 102677243

IUPAC(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1nnc(CN[C@H](C)c2cccs2)o1
InChIInChI=1S/C10H13N3OS/c1-7(9-4-3-5-15-9)11-6-10-13-12-8(2)14-10/h3-5,7,11H,6H2,1-2H3/t7-/m1/s1
InChIKeyJRSRJQZJZINDDS-SSDOTTSWSA-N
MW223.30 g/mol
LogP2.29
Rot. Bonds4

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

(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 102677243) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID102677243
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1nnc(CN[C@H](C)c2cccs2)o1
InChIInChI=1S/C10H13N3OS/c1-7(9-4-3-5-15-9)11-6-10-13-12-8(2)14-10/h3-5,7,11H,6H2,1-2H3/t7-/m1/s1
InChIKeyJRSRJQZJZINDDS-SSDOTTSWSA-N
XLogP2.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 99821912
(1S)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914769
1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605606
(1R)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914770
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1S)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81409230
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 114015374
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 43183580
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 103605426

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine (CID 102677243) is (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine is Cc1nnc(CN[C@H](C)c2cccs2)o1.
What is the InChIKey of (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is JRSRJQZJZINDDS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(9-4-3-5-15-9)11-6-10-13-12-8(2)14-10/h3-5,7,11H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine?
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 223.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 102677243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).