2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C12H11N5O2S — CID 175759599

IUPAC2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12
InChIInChI=1S/C12H11N5O2S/c13-11(18)8-4-15-17-5-10(20-12(8)17)7-3-14-16-1-2-19-6-9(7)16/h3-5H,1-2,6H2,(H2,13,18)
InChIKeyDFKNQCURLDTTMI-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.89
Rot. Bonds2

About 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 175759599) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID175759599
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12
InChIInChI=1S/C12H11N5O2S/c13-11(18)8-4-15-17-5-10(20-12(8)17)7-3-14-16-1-2-19-6-9(7)16/h3-5H,1-2,6H2,(H2,13,18)
InChIKeyDFKNQCURLDTTMI-UHFFFAOYSA-N
XLogP0.89
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 175759599) is 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is NC(=O)c1cnn2cc(-c3cnn4c3COCC4)sc12.
What is the InChIKey of 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is DFKNQCURLDTTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c13-11(18)8-4-15-17-5-10(20-12(8)17)7-3-14-16-1-2-19-6-9(7)16/h3-5H,1-2,6H2,(H2,13,18).
What are the key properties of 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 175759599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).