1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide

C20H15N3O3S — CID 118660661

IUPAC1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide
SMILESCN1c2ccc(-c3cncc4ccc(-c5ncco5)cc34)cc2CS1(=O)=O
InChIInChI=1S/C20H15N3O3S/c1-23-19-5-4-13(8-16(19)12-27(23,24)25)18-11-21-10-15-3-2-14(9-17(15)18)20-22-6-7-26-20/h2-11H,12H2,1H3
InChIKeyQNNFQMOGHMVOBF-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.84
Rot. Bonds2

About 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide

1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide (PubChem CID 118660661) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide.

Molecular Properties

Compound Name1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide
PubChem CID118660661
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide
SMILESCN1c2ccc(-c3cncc4ccc(-c5ncco5)cc34)cc2CS1(=O)=O
InChIInChI=1S/C20H15N3O3S/c1-23-19-5-4-13(8-16(19)12-27(23,24)25)18-11-21-10-15-3-2-14(9-17(15)18)20-22-6-7-26-20/h2-11H,12H2,1H3
InChIKeyQNNFQMOGHMVOBF-UHFFFAOYSA-N
XLogP3.84
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide with MolForge

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Related Compounds

[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol
CID 118660686
[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
CID 118665734
8-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046538
5-(1,3-oxazol-2-yl)-1,3-dihydroisoindole-2-carboxylic acid
CID 175868155
N-[2-[4-methyl-1-[3-methyl-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]piperidin-4-yl]ethyl]formamide
CID 123216395
2-[5-[10-[5-(1,3-oxazol-2-yl)-3-pyridinyl]-2-(2-phenylphenyl)anthracen-9-yl]-3-pyridinyl]-1,3-oxazole
CID 121297738
2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-1,3-oxazole
CID 146274463
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole
CID 90367981
2-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]benzenesulfonamide
CID 118665723
7-isoquinolin-4-yl-1H-quinolin-2-one
CID 167814827
2-(4-fluoro-3-propan-2-ylphenyl)-1,3-oxazole
CID 58834826
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide?
The IUPAC name of 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide (CID 118660661) is 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide.
What is the SMILES notation for 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide?
The canonical SMILES for 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide is CN1c2ccc(-c3cncc4ccc(-c5ncco5)cc34)cc2CS1(=O)=O.
What is the InChIKey of 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide?
The InChIKey is QNNFQMOGHMVOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-23-19-5-4-13(8-16(19)12-27(23,24)25)18-11-21-10-15-3-2-14(9-17(15)18)20-22-6-7-26-20/h2-11H,12H2,1H3.
What are the key properties of 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide?
1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide has a molecular weight of 377.43 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide is sourced from PubChem (CID 118660661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).