ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

C9H12N2OS — CID 145188413

IUPACethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESCC.Cc1ccc2sc(=O)[nH]c2n1
InChIInChI=1S/C7H6N2OS.C2H6/c1-4-2-3-5-6(8-4)9-7(10)11-5;1-2/h2-3H,1H3,(H,8,9,10);1-2H3
InChIKeyRHTZMDYFTGAUHV-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.32
Rot. Bonds

About ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one

ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (PubChem CID 145188413) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Nameethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
PubChem CID145188413
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Nameethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
SMILESCC.Cc1ccc2sc(=O)[nH]c2n1
InChIInChI=1S/C7H6N2OS.C2H6/c1-4-2-3-5-6(8-4)9-7(10)11-5;1-2/h2-3H,1H3,(H,8,9,10);1-2H3
InChIKeyRHTZMDYFTGAUHV-UHFFFAOYSA-N
XLogP2.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 130232038
5-ethyl-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
CID 122697190
2-ethoxy-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 175731283
3H-thieno[2,3-d][1,3]thiazol-2-one
CID 14024712
ethane;6-methyl-1H-pyrazolo[5,4-b]pyridine
CID 143926189
4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one
CID 138377544
ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one
CID 169136308
1H-benzo[e][1,3]benzothiazol-2-one
CID 14596408
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
chloromethane;ethane;6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715308
4-hydroxy-5-[(6-methyl-2-pyridinyl)sulfanyl]-3H-1,3-thiazol-2-one
CID 54295053
4,5-dimethyl-3H-1,3-thiazol-2-one;ethane
CID 143431623

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The IUPAC name of ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one (CID 145188413) is ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The canonical SMILES for ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is CC.Cc1ccc2sc(=O)[nH]c2n1.
What is the InChIKey of ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
The InChIKey is RHTZMDYFTGAUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS.C2H6/c1-4-2-3-5-6(8-4)9-7(10)11-5;1-2/h2-3H,1H3,(H,8,9,10);1-2H3.
What are the key properties of ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one?
ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one has a molecular weight of 196.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 145188413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).