N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C14H22N4OS — CID 72929967

IUPACN-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCCOC3CCCC3)sc12
InChIInChI=1S/C14H22N4OS/c1-10-12-13(18(2)17-10)16-14(20-12)15-8-5-9-19-11-6-3-4-7-11/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXEVXITZKHVBYQY-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.10
Rot. Bonds6

About N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72929967) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72929967
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCCOC3CCCC3)sc12
InChIInChI=1S/C14H22N4OS/c1-10-12-13(18(2)17-10)16-14(20-12)15-8-5-9-19-11-6-3-4-7-11/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyXEVXITZKHVBYQY-UHFFFAOYSA-N
XLogP3.10
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72929967) is N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCCCOC3CCCC3)sc12.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is XEVXITZKHVBYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10-12-13(18(2)17-10)16-14(20-12)15-8-5-9-19-11-6-3-4-7-11/h11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 294.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72929967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).