N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C21H26N8OS — CID 55546322

IUPACN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C21H26N8OS/c1-10-15(11(2)29-19(23-10)25-18(22)28-29)6-16(30)24-20-27-26-17(31-20)21-7-12-3-13(8-21)5-14(4-12)9-21/h12-14H,3-9H2,1-2H3,(H2,22,28)(H,24,27,30)
InChIKeyJXAWLTKGHNNYRE-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.82
Rot. Bonds4

About N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 55546322) has the molecular formula C21H26N8OS and a molecular weight of 438.56 g/mol. Its IUPAC name is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID55546322
Molecular FormulaC21H26N8OS
Molecular Weight438.56 g/mol
Exact Mass438.20
IUPAC NameN-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C21H26N8OS/c1-10-15(11(2)29-19(23-10)25-18(22)28-29)6-16(30)24-20-27-26-17(31-20)21-7-12-3-13(8-21)5-14(4-12)9-21/h12-14H,3-9H2,1-2H3,(H2,22,28)(H,24,27,30)
InChIKeyJXAWLTKGHNNYRE-UHFFFAOYSA-N
XLogP2.82
TPSA123.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide with MolForge

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Related Compounds

N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 78802894
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 112793296
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 51982400
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 29388586
N-[3-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55585848
2-[4-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-N,N-dimethylacetamide
CID 55869151
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 3520204
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(azepan-1-yl)ethanone
CID 18108146
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 55978904
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17452875
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51205142
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17415546

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 55546322) is N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is JXAWLTKGHNNYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8OS/c1-10-15(11(2)29-19(23-10)25-18(22)28-29)6-16(30)24-20-27-26-17(31-20)21-7-12-3-13(8-21)5-14(4-12)9-21/h12-14H,3-9H2,1-2H3,(H2,22,28)(H,24,27,30).
What are the key properties of N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 438.56 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 55546322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).