1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide

C9H12N2OS — CID 21300260

IUPAC1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide
SMILESCN1c2ncccc2C(C)(C)S1=O
InChIInChI=1S/C9H12N2OS/c1-9(2)7-5-4-6-10-8(7)11(3)13(9)12/h4-6H,1-3H3
InChIKeyWPTCZXNJXWYYRF-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.43
Rot. Bonds

About 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide

1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide (PubChem CID 21300260) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide.

Molecular Properties

Compound Name1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide
PubChem CID21300260
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide
SMILESCN1c2ncccc2C(C)(C)S1=O
InChIInChI=1S/C9H12N2OS/c1-9(2)7-5-4-6-10-8(7)11(3)13(9)12/h4-6H,1-3H3
InChIKeyWPTCZXNJXWYYRF-UHFFFAOYSA-N
XLogP1.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one
CID 134840605
3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one
CID 14739529
3,3-dimethyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-2-one
CID 67993582
1-(4-hydroxyphenyl)-3,3-dimethylpyrrolo[2,3-b]pyridin-2-one
CID 58577743
N,N-dimethyl-2-(5-oxopyrido[3,2-b][1,4]benzothiazin-10-yl)ethanamine
CID 110174393
6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one
CID 21300282
3-butyl-3-methyl-1-phenylpyrrolo[2,3-b]pyridin-2-one
CID 14739526
(3Z)-3-ethylidene-1-methylpyrrolo[2,3-b]pyridin-2-one
CID 76847801
2-(2,4,6-trimethylphenyl)-9λ4-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 9-oxide
CID 59573479
ethane;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 143469071
3-methyl-1-phenyl-3-phenylsulfanylpyrrolo[2,3-b]pyridin-2-one
CID 14739491
3,3-dimethylpyrazolo[3,4-b]pyridine
CID 90929047

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide?
The IUPAC name of 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide (CID 21300260) is 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide.
What is the SMILES notation for 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide?
The canonical SMILES for 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide is CN1c2ncccc2C(C)(C)S1=O.
What is the InChIKey of 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide?
The InChIKey is WPTCZXNJXWYYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-9(2)7-5-4-6-10-8(7)11(3)13(9)12/h4-6H,1-3H3.
What are the key properties of 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide?
1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide has a molecular weight of 196.28 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-[1,2]thiazolo[3,4-b]pyridine 2-oxide is sourced from PubChem (CID 21300260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).