6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one

C10H12N2OS — CID 59362129

IUPAC6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCC(C)c1ccc2c(n1)NC(=O)CS2
InChIInChI=1S/C10H12N2OS/c1-6(2)7-3-4-8-10(11-7)12-9(13)5-14-8/h3-4,6H,5H2,1-2H3,(H,11,12,13)
InChIKeySREICAVJRBEVFY-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.25
Rot. Bonds1

About 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 59362129) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID59362129
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCC(C)c1ccc2c(n1)NC(=O)CS2
InChIInChI=1S/C10H12N2OS/c1-6(2)7-3-4-8-10(11-7)12-9(13)5-14-8/h3-4,6H,5H2,1-2H3,(H,11,12,13)
InChIKeySREICAVJRBEVFY-UHFFFAOYSA-N
XLogP2.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 59362129) is 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one is CC(C)c1ccc2c(n1)NC(=O)CS2.
What is the InChIKey of 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is SREICAVJRBEVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-6(2)7-3-4-8-10(11-7)12-9(13)5-14-8/h3-4,6H,5H2,1-2H3,(H,11,12,13).
What are the key properties of 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 208.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 59362129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).