ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one

C13H22N2OS — CID 169136308

IUPACethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one
SMILESCC.CC.Cc1nc(C)c2[nH]c(=O)sc2c1C
InChIInChI=1S/C9H10N2OS.2C2H6/c1-4-5(2)10-6(3)7-8(4)13-9(12)11-7;2*1-2/h1-3H3,(H,11,12);2*1-2H3
InChIKeyKQJUVJQMBQTWRF-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.96
Rot. Bonds

About ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one

ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one (PubChem CID 169136308) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Nameethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one
PubChem CID169136308
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Nameethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one
SMILESCC.CC.Cc1nc(C)c2[nH]c(=O)sc2c1C
InChIInChI=1S/C9H10N2OS.2C2H6/c1-4-5(2)10-6(3)7-8(4)13-9(12)11-7;2*1-2/h1-3H3,(H,11,12);2*1-2H3
InChIKeyKQJUVJQMBQTWRF-UHFFFAOYSA-N
XLogP3.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4-methyl-3H-1,3-benzothiazol-2-one
CID 20511513
4,5,6,7-tetrachloro-3H-1,3-benzothiazol-2-one
CID 13447021
4,5-dimethyl-3H-1,3-thiazol-2-one;ethane
CID 143431623
ethane;5-methyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
CID 145188413
6-[(4-chlorophenyl)methylideneamino]-5,7-dimethyl-3H-[1,3]thiazolo[4,5-b]pyridin-2-one
CID 72711893
4,6,7-trimethyl-2-propan-2-yl-3H-imidazo[4,5-c]pyridine
CID 59874837
4-methoxy-6-methyl-3H-1,3-benzothiazol-2-one
CID 123135032
9-bromo-6,8-dimethyl-5H-thieno[2,3-c][1,7]naphthyridin-4-one
CID 171549551
4,11,12,13-tetramethyl-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-one
CID 23907587
4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
2,4-dimethyl-5,8-dihydropteridine-6,7-dione
CID 57062800
6,8-dimethyl-1,3-benzothiazine-2,4-dione
CID 11506705

Frequently Asked Questions

What is the IUPAC name of ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one?
The IUPAC name of ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one (CID 169136308) is ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one.
What is the SMILES notation for ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one?
The canonical SMILES for ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one is CC.CC.Cc1nc(C)c2[nH]c(=O)sc2c1C.
What is the InChIKey of ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one?
The InChIKey is KQJUVJQMBQTWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS.2C2H6/c1-4-5(2)10-6(3)7-8(4)13-9(12)11-7;2*1-2/h1-3H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one?
ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one has a molecular weight of 254.40 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,6,7-trimethyl-3H-[1,3]thiazolo[4,5-c]pyridin-2-one is sourced from PubChem (CID 169136308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).