N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H25N7S — CID 70660401

IUPACN-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCCc1cccc2nc(NC3[C@@H]4CC[C@H]3CN(c3nc(C)ns3)C4)nn12
InChIInChI=1S/C19H25N7S/c1-3-5-15-6-4-7-16-21-18(23-26(15)16)22-17-13-8-9-14(17)11-25(10-13)19-20-12(2)24-27-19/h4,6-7,13-14,17H,3,5,8-11H2,1-2H3,(H,22,23)/t13-,14+,17?
InChIKeyOXXWXNARYGPFDN-VMZNBEPHSA-N
MW383.53 g/mol
LogP3.17
Rot. Bonds5

About N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70660401) has the molecular formula C19H25N7S and a molecular weight of 383.53 g/mol. Its IUPAC name is N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70660401
Molecular FormulaC19H25N7S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC NameN-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCCc1cccc2nc(NC3[C@@H]4CC[C@H]3CN(c3nc(C)ns3)C4)nn12
InChIInChI=1S/C19H25N7S/c1-3-5-15-6-4-7-16-21-18(23-26(15)16)22-17-13-8-9-14(17)11-25(10-13)19-20-12(2)24-27-19/h4,6-7,13-14,17H,3,5,8-11H2,1-2H3,(H,22,23)/t13-,14+,17?
InChIKeyOXXWXNARYGPFDN-VMZNBEPHSA-N
XLogP3.17
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

Pyrazolo[1,5-a]-1,3,5-triazine, 13-1
CID 42618207
N-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 156021859
N-[11-(3-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 3229948
2-(3-fluorophenyl)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56668459
8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53354212
[5-(4-Fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[1-(3-methyl-[1,2,4]thiadiazol-5-yl)-piperidin-4-yl]-amine
CID 53354634
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67343730
8-[3-(3-Methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70655085
2-fluoro-5-[2-[[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzonitrile
CID 70660397
N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70660403
N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70660407
N-[(1S,5R)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[4-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70660408

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70660401) is N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCCc1cccc2nc(NC3[C@@H]4CC[C@H]3CN(c3nc(C)ns3)C4)nn12.
What is the InChIKey of N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OXXWXNARYGPFDN-VMZNBEPHSA-N. The full InChI is InChI=1S/C19H25N7S/c1-3-5-15-6-4-7-16-21-18(23-26(15)16)22-17-13-8-9-14(17)11-25(10-13)19-20-12(2)24-27-19/h4,6-7,13-14,17H,3,5,8-11H2,1-2H3,(H,22,23)/t13-,14+,17?.
What are the key properties of N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 383.53 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70660401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).