3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one

C9H10N2OS — CID 15633560

IUPAC3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESCC1(C)Sc2ncccc2NC1=O
InChIInChI=1S/C9H10N2OS/c1-9(2)8(12)11-6-4-3-5-10-7(6)13-9/h3-5H,1-2H3,(H,11,12)
InChIKeyOAUXUELBNZVBDI-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.90
Rot. Bonds

About 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one

3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one (PubChem CID 15633560) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
PubChem CID15633560
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
SMILESCC1(C)Sc2ncccc2NC1=O
InChIInChI=1S/C9H10N2OS/c1-9(2)8(12)11-6-4-3-5-10-7(6)13-9/h3-5H,1-2H3,(H,11,12)
InChIKeyOAUXUELBNZVBDI-UHFFFAOYSA-N
XLogP1.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 13293492
3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
CID 126477073
ethyl 2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetate
CID 91926046
8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 115096446
2-thia-4,9,11,18-tetrazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3(8),4,6,10,12,14,16-octaene
CID 4989900
7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
CID 79294837
3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
CID 15292474
2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one
CID 84623973
2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one
CID 13293493
N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 155298451
2-methyl-3-oxo-N-(2-pyridin-2-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
CID 56730231
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The IUPAC name of 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one (CID 15633560) is 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one.
What is the SMILES notation for 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The canonical SMILES for 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one is CC1(C)Sc2ncccc2NC1=O.
What is the InChIKey of 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
The InChIKey is OAUXUELBNZVBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-9(2)8(12)11-6-4-3-5-10-7(6)13-9/h3-5H,1-2H3,(H,11,12).
What are the key properties of 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one?
3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one has a molecular weight of 194.26 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one is sourced from PubChem (CID 15633560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).