4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one

C15H13N3O2S — CID 158016578

IUPAC4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1cccc2scnc12.Cn1cccc2oc(=O)nc1-2
InChIInChI=1S/C8H7NS.C7H6N2O2/c1-6-3-2-4-7-8(6)9-5-10-7;1-9-4-2-3-5-6(9)8-7(10)11-5/h2-5H,1H3;2-4H,1H3
InChIKeyFFNUDNCSIBSJHA-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.08
Rot. Bonds

About 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one

4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 158016578) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID158016578
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1cccc2scnc12.Cn1cccc2oc(=O)nc1-2
InChIInChI=1S/C8H7NS.C7H6N2O2/c1-6-3-2-4-7-8(6)9-5-10-7;1-9-4-2-3-5-6(9)8-7(10)11-5/h2-5H,1H3;2-4H,1H3
InChIKeyFFNUDNCSIBSJHA-UHFFFAOYSA-N
XLogP3.08
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(bromomethyl)-1,3-benzothiazole;4-methyl-1,3-benzothiazole
CID 159796626
1,3-dimethylpyridin-2-one;ethane
CID 91539152
4-(2,4-dimethyl-1H-pyrrol-3-yl)-1,3-benzothiazole
CID 165066402
6-fluoro-4-methyl-1,3-benzothiazole
CID 53413085
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
CID 81481599
1-(1,3-benzothiazol-4-yl)-N,N-dimethylmethanamine
CID 173153815
4-[3-(1,3-benzothiazol-4-yl)quinoxalin-2-yl]-1,3-benzothiazole
CID 141412719
1,3-benzothiazol-4-ylmethanol
CID 84652179
4-hexoxy-1,3-benzothiazole
CID 54068927
2-(1,3-benzothiazol-4-yloxy)propanoic acid
CID 82190108
4-methyl-2-nitro-1,3-benzothiazole
CID 119093125
1-bromo-3-methylpyridin-2-one
CID 160501630

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 158016578) is 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is Cc1cccc2scnc12.Cn1cccc2oc(=O)nc1-2.
What is the InChIKey of 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is FFNUDNCSIBSJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.C7H6N2O2/c1-6-3-2-4-7-8(6)9-5-10-7;1-9-4-2-3-5-6(9)8-7(10)11-5/h2-5H,1H3;2-4H,1H3.
What are the key properties of 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 299.36 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-benzothiazole;4-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158016578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).