N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C15H20N6OS — CID 72885641

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)Cc3noc(C4CCCC4)n3)sc12
InChIInChI=1S/C15H20N6OS/c1-9-12-13(21(3)18-9)17-15(23-12)20(2)8-11-16-14(22-19-11)10-6-4-5-7-10/h10H,4-8H2,1-3H3
InChIKeyBKCYGRJLMGZGGK-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.02
Rot. Bonds4

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72885641) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72885641
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(C)Cc3noc(C4CCCC4)n3)sc12
InChIInChI=1S/C15H20N6OS/c1-9-12-13(21(3)18-9)17-15(23-12)20(2)8-11-16-14(22-19-11)10-6-4-5-7-10/h10H,4-8H2,1-3H3
InChIKeyBKCYGRJLMGZGGK-UHFFFAOYSA-N
XLogP3.02
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72940604
N,1,3-trimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72920681
N,1,3-trimethyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72888811
N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72909764
N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72847469
5-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 72917691
1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97436789
N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97283243
N-benzyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72926395
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72909929
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373786

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72885641) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(C)Cc3noc(C4CCCC4)n3)sc12.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is BKCYGRJLMGZGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-9-12-13(21(3)18-9)17-15(23-12)20(2)8-11-16-14(22-19-11)10-6-4-5-7-10/h10H,4-8H2,1-3H3.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 332.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72885641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).