3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol

C8H10N2OS — CID 18454501

IUPAC3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol
SMILESOCc1ccc2c(n1)NCCS2
InChIInChI=1S/C8H10N2OS/c11-5-6-1-2-7-8(10-6)9-3-4-12-7/h1-2,11H,3-5H2,(H,9,10)
InChIKeyKZAUYOARHFOTAP-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.09
Rot. Bonds1

About 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol

3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol (PubChem CID 18454501) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol
PubChem CID18454501
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol
SMILESOCc1ccc2c(n1)NCCS2
InChIInChI=1S/C8H10N2OS/c11-5-6-1-2-7-8(10-6)9-3-4-12-7/h1-2,11H,3-5H2,(H,9,10)
InChIKeyKZAUYOARHFOTAP-UHFFFAOYSA-N
XLogP1.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol?
The IUPAC name of 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol (CID 18454501) is 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol.
What is the SMILES notation for 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol?
The canonical SMILES for 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol is OCc1ccc2c(n1)NCCS2.
What is the InChIKey of 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol?
The InChIKey is KZAUYOARHFOTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-5-6-1-2-7-8(10-6)9-3-4-12-7/h1-2,11H,3-5H2,(H,9,10).
What are the key properties of 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol?
3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol has a molecular weight of 182.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-ylmethanol is sourced from PubChem (CID 18454501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).