2-methylindeno[2,1-f][1,3]benzothiazol-9-one

C15H9NOS — CID 102382197

IUPAC2-methylindeno[2,1-f][1,3]benzothiazol-9-one
SMILESCc1nc2cc3c(cc2s1)-c1ccccc1C3=O
InChIInChI=1S/C15H9NOS/c1-8-16-13-6-12-11(7-14(13)18-8)9-4-2-3-5-10(9)15(12)17/h2-7H,1H3
InChIKeyYEYLENLDJUHGQF-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.82
Rot. Bonds

About 2-methylindeno[2,1-f][1,3]benzothiazol-9-one

2-methylindeno[2,1-f][1,3]benzothiazol-9-one (PubChem CID 102382197) has the molecular formula C15H9NOS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-methylindeno[2,1-f][1,3]benzothiazol-9-one.

Molecular Properties

Compound Name2-methylindeno[2,1-f][1,3]benzothiazol-9-one
PubChem CID102382197
Molecular FormulaC15H9NOS
Molecular Weight251.31 g/mol
Exact Mass251.04
IUPAC Name2-methylindeno[2,1-f][1,3]benzothiazol-9-one
SMILESCc1nc2cc3c(cc2s1)-c1ccccc1C3=O
InChIInChI=1S/C15H9NOS/c1-8-16-13-6-12-11(7-14(13)18-8)9-4-2-3-5-10(9)15(12)17/h2-7H,1H3
InChIKeyYEYLENLDJUHGQF-UHFFFAOYSA-N
XLogP3.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-phenyl-1,3-benzothiazol-5-amine
CID 58470111
2-methyl-1,3-benzothiazole-6-sulfonyl fluoride
CID 150804150
3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one
CID 155914094
2-phenylindeno[1,2-g]quinolin-10-one
CID 154625605
5-methyl-2-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzenesulfonic acid
CID 20792485
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
2-(2-methyl-1,3-benzothiazol-5-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 90280981
dihydroxy(oxo)phosphanium;2-methyl-1,3-benzothiazole
CID 68800497
2-methyl-5-[(S)-methylsulfinyl]-1,3-benzothiazole
CID 94044690
2-methyl-1,3-benzothiazole;urea
CID 161197769
2,3-diphenylfluoren-9-one
CID 102493574
5-hydroxy-2-methylbenzenesulfonic acid;2-methyl-1,3-benzothiazole
CID 173161916

Frequently Asked Questions

What is the IUPAC name of 2-methylindeno[2,1-f][1,3]benzothiazol-9-one?
The IUPAC name of 2-methylindeno[2,1-f][1,3]benzothiazol-9-one (CID 102382197) is 2-methylindeno[2,1-f][1,3]benzothiazol-9-one.
What is the SMILES notation for 2-methylindeno[2,1-f][1,3]benzothiazol-9-one?
The canonical SMILES for 2-methylindeno[2,1-f][1,3]benzothiazol-9-one is Cc1nc2cc3c(cc2s1)-c1ccccc1C3=O.
What is the InChIKey of 2-methylindeno[2,1-f][1,3]benzothiazol-9-one?
The InChIKey is YEYLENLDJUHGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NOS/c1-8-16-13-6-12-11(7-14(13)18-8)9-4-2-3-5-10(9)15(12)17/h2-7H,1H3.
What are the key properties of 2-methylindeno[2,1-f][1,3]benzothiazol-9-one?
2-methylindeno[2,1-f][1,3]benzothiazol-9-one has a molecular weight of 251.31 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylindeno[2,1-f][1,3]benzothiazol-9-one is sourced from PubChem (CID 102382197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).