1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

C11H16N4OS — CID 72846251

IUPAC1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCC3CCOC3)sc12
InChIInChI=1S/C11H16N4OS/c1-7-9-10(15(2)14-7)13-11(17-9)12-5-8-3-4-16-6-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyGYYFNRKPPAFJGL-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.79
Rot. Bonds3

About 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72846251) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72846251
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCC3CCOC3)sc12
InChIInChI=1S/C11H16N4OS/c1-7-9-10(15(2)14-7)13-11(17-9)12-5-8-3-4-16-6-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyGYYFNRKPPAFJGL-UHFFFAOYSA-N
XLogP1.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72846251) is 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCC3CCOC3)sc12.
What is the InChIKey of 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is GYYFNRKPPAFJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7-9-10(15(2)14-7)13-11(17-9)12-5-8-3-4-16-6-8/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 252.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72846251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).