6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol

C7H10N2OS — CID 11845249

IUPAC6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol
SMILESOCc1cc2n(n1)CCSC2
InChIInChI=1S/C7H10N2OS/c10-4-6-3-7-5-11-2-1-9(7)8-6/h3,10H,1-2,4-5H2
InChIKeySPVPTQCGJTYMIB-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.62
Rot. Bonds1

About 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol (PubChem CID 11845249) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol.

Molecular Properties

Compound Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol
PubChem CID11845249
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol
SMILESOCc1cc2n(n1)CCSC2
InChIInChI=1S/C7H10N2OS/c10-4-6-3-7-5-11-2-1-9(7)8-6/h3,10H,1-2,4-5H2
InChIKeySPVPTQCGJTYMIB-UHFFFAOYSA-N
XLogP0.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol?
The IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol (CID 11845249) is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol.
What is the SMILES notation for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol?
The canonical SMILES for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol is OCc1cc2n(n1)CCSC2.
What is the InChIKey of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol?
The InChIKey is SPVPTQCGJTYMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c10-4-6-3-7-5-11-2-1-9(7)8-6/h3,10H,1-2,4-5H2.
What are the key properties of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol?
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol has a molecular weight of 170.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-ylmethanol is sourced from PubChem (CID 11845249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).