(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol

C8H9ClN2OS — CID 68598513

IUPAC(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol
SMILESOCc1nc2c(cc1Cl)SCCN2
InChIInChI=1S/C8H9ClN2OS/c9-5-3-7-8(10-1-2-13-7)11-6(5)4-12/h3,12H,1-2,4H2,(H,10,11)
InChIKeyXATODVHWQRJWND-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.74
Rot. Bonds1

About (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol

(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol (PubChem CID 68598513) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol.

Molecular Properties

Compound Name(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol
PubChem CID68598513
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol
SMILESOCc1nc2c(cc1Cl)SCCN2
InChIInChI=1S/C8H9ClN2OS/c9-5-3-7-8(10-1-2-13-7)11-6(5)4-12/h3,12H,1-2,4H2,(H,10,11)
InChIKeyXATODVHWQRJWND-UHFFFAOYSA-N
XLogP1.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol?
The IUPAC name of (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol (CID 68598513) is (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol.
What is the SMILES notation for (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol?
The canonical SMILES for (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol is OCc1nc2c(cc1Cl)SCCN2.
What is the InChIKey of (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol?
The InChIKey is XATODVHWQRJWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c9-5-3-7-8(10-1-2-13-7)11-6(5)4-12/h3,12H,1-2,4H2,(H,10,11).
What are the key properties of (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol?
(7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol has a molecular weight of 216.69 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methanol is sourced from PubChem (CID 68598513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).