1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine

C19H11N3S — CID 168746343

IUPAC1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc2c(c1)sc1ccnc(-c3cc4cnccc4cn3)c12
InChIInChI=1S/C19H11N3S/c1-2-4-16-14(3-1)18-17(23-16)6-8-21-19(18)15-9-13-10-20-7-5-12(13)11-22-15/h1-11H
InChIKeyRPRGGNRMCBWYNC-UHFFFAOYSA-N
MW313.38 g/mol
LogP5.06
Rot. Bonds1

About 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine

1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine (PubChem CID 168746343) has the molecular formula C19H11N3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine
PubChem CID168746343
Molecular FormulaC19H11N3S
Molecular Weight313.38 g/mol
Exact Mass313.07
IUPAC Name1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine
SMILESc1ccc2c(c1)sc1ccnc(-c3cc4cnccc4cn3)c12
InChIInChI=1S/C19H11N3S/c1-2-4-16-14(3-1)18-17(23-16)6-8-21-19(18)15-9-13-10-20-7-5-12(13)11-22-15/h1-11H
InChIKeyRPRGGNRMCBWYNC-UHFFFAOYSA-N
XLogP5.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-3-yl-[1]benzothiolo[2,3-c]pyridine
CID 168745873
9-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-b]pyridine
CID 168745792
12-isoquinolin-3-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 168746887
[1]benzothiolo[2,3-h]isoquinoline
CID 14871970
N-[4-([1]benzothiolo[3,2-c]pyridin-1-yl)phenyl]-4-phthalazin-6-yl-N-(4-phthalazin-6-ylphenyl)aniline
CID 168765357
iridium;1-phenyl-[1]benzothiolo[3,2-c]pyridine
CID 58987207
4-isoquinolin-1-yl-8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168745956
1-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-3-yl]-[1]benzothiolo[2,3-c]pyridine
CID 168746133
N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-4-([1]benzothiolo[3,2-c]pyridin-1-yl)aniline
CID 168765679
11-isoquinolin-3-yl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168747147
12-isoquinolin-3-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 168746653
2-(9-isoquinolin-6-yldibenzothiophen-2-yl)-9-phenyl-1,10-phenanthroline
CID 146210879

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine (CID 168746343) is 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine is c1ccc2c(c1)sc1ccnc(-c3cc4cnccc4cn3)c12.
What is the InChIKey of 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is RPRGGNRMCBWYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3S/c1-2-4-16-14(3-1)18-17(23-16)6-8-21-19(18)15-9-13-10-20-7-5-12(13)11-22-15/h1-11H.
What are the key properties of 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine?
1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 313.38 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-naphthyridin-3-yl)-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 168746343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).