[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol

C17H15N3O3S — CID 118660686

IUPAC[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol
SMILESCN1c2ccc(-c3cncc4ccc(CO)nc34)cc2CS1(=O)=O
InChIInChI=1S/C17H15N3O3S/c1-20-16-5-3-11(6-13(16)10-24(20,22)23)15-8-18-7-12-2-4-14(9-21)19-17(12)15/h2-8,21H,9-10H2,1H3
InChIKeyDKBFXEYPQNIOIX-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.07
Rot. Bonds2

About [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol

[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol (PubChem CID 118660686) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol.

Molecular Properties

Compound Name[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol
PubChem CID118660686
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol
SMILESCN1c2ccc(-c3cncc4ccc(CO)nc34)cc2CS1(=O)=O
InChIInChI=1S/C17H15N3O3S/c1-20-16-5-3-11(6-13(16)10-24(20,22)23)15-8-18-7-12-2-4-14(9-21)19-17(12)15/h2-8,21H,9-10H2,1H3
InChIKeyDKBFXEYPQNIOIX-UHFFFAOYSA-N
XLogP2.07
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]-piperazin-1-ylmethanone
CID 118665734
1-methyl-5-[6-(1,3-oxazol-2-yl)isoquinolin-4-yl]-3H-2,1-benzothiazole 2,2-dioxide
CID 118660661
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
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
8-[4-(aminomethyl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 90178332
1-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-[2-(dimethylamino)ethyl]piperidine-4-carbonitrile;2,2,2-trifluoroacetic acid
CID 127046086
(3,3-difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
CID 118660717
2-(1-methylpyrazol-3-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine
CID 127044488
8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 75203883
6-chloro-1-methyl-3H-2,1-benzothiazole 2,2-dioxide
CID 126992599
(3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one
CID 162152490
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878

Frequently Asked Questions

What is the IUPAC name of [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol?
The IUPAC name of [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol (CID 118660686) is [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol.
What is the SMILES notation for [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol?
The canonical SMILES for [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol is CN1c2ccc(-c3cncc4ccc(CO)nc34)cc2CS1(=O)=O.
What is the InChIKey of [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol?
The InChIKey is DKBFXEYPQNIOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-20-16-5-3-11(6-13(16)10-24(20,22)23)15-8-18-7-12-2-4-14(9-21)19-17(12)15/h2-8,21H,9-10H2,1H3.
What are the key properties of [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol?
[8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol has a molecular weight of 341.39 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-1,6-naphthyridin-2-yl]methanol is sourced from PubChem (CID 118660686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).