(6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C15H18N6OS — CID 95345834

IUPAC(6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@@H](N[C@@H](C)c1nnc(-c3cccs3)o1)CC2
InChIInChI=1S/C15H18N6OS/c1-9(14-18-19-15(22-14)12-4-3-7-23-12)16-11-5-6-13-17-10(2)20-21(13)8-11/h3-4,7,9,11,16H,5-6,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyUGJAHWZNDTXVPP-ONGXEEELSA-N
MW330.42 g/mol
LogP2.36
Rot. Bonds4

About (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95345834) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95345834
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name(6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1nc2n(n1)C[C@@H](N[C@@H](C)c1nnc(-c3cccs3)o1)CC2
InChIInChI=1S/C15H18N6OS/c1-9(14-18-19-15(22-14)12-4-3-7-23-12)16-11-5-6-13-17-10(2)20-21(13)8-11/h3-4,7,9,11,16H,5-6,8H2,1-2H3/t9-,11-/m0/s1
InChIKeyUGJAHWZNDTXVPP-ONGXEEELSA-N
XLogP2.36
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

(6S)-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95304751
(6R)-2-methyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95346814
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
(2R,6S)-2,6-dimethyl-4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98684296
(2R)-N-cyclopropyl-2-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 51928787
(1R)-1-(4-chlorophenyl)-N-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]ethanamine
CID 9043981
2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95156130
2-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115616214
1-[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019750
2-[(1R)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 95293704
[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111543771
(1R)-N-[(S)-phenyl(thiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9051645

Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95345834) is (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1nnc(-c3cccs3)o1)CC2.
What is the InChIKey of (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is UGJAHWZNDTXVPP-ONGXEEELSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-9(14-18-19-15(22-14)12-4-3-7-23-12)16-11-5-6-13-17-10(2)20-21(13)8-11/h3-4,7,9,11,16H,5-6,8H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 330.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95345834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).