3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C13H19N5OS — CID 72916508

IUPAC3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(C)c2nc(NCCC(=O)N3CCCC3)sc12
InChIInChI=1S/C13H19N5OS/c1-9-11-12(17(2)16-9)15-13(20-11)14-6-5-10(19)18-7-3-4-8-18/h3-8H2,1-2H3,(H,14,15)
InChIKeyYDALJWRIUITBNN-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.76
Rot. Bonds4

About 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 72916508) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID72916508
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(C)c2nc(NCCC(=O)N3CCCC3)sc12
InChIInChI=1S/C13H19N5OS/c1-9-11-12(17(2)16-9)15-13(20-11)14-6-5-10(19)18-7-3-4-8-18/h3-8H2,1-2H3,(H,14,15)
InChIKeyYDALJWRIUITBNN-UHFFFAOYSA-N
XLogP1.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 72916508) is 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is Cc1nn(C)c2nc(NCCC(=O)N3CCCC3)sc12.
What is the InChIKey of 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YDALJWRIUITBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9-11-12(17(2)16-9)15-13(20-11)14-6-5-10(19)18-7-3-4-8-18/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 293.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 72916508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).