1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine

C27H19N5S4 — CID 159428427

IUPAC1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
SMILESc1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2ncsc2c1.c1cnc2sccc2c1
InChIInChI=1S/3C7H5NS.C6H4N2S/c1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5/h3*1-5H;1-4H
InChIKeyLQRCQXPYQDZOSX-UHFFFAOYSA-N
MW541.75 g/mol
LogP8.58
Rot. Bonds

About 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine

1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine (PubChem CID 159428427) has the molecular formula C27H19N5S4 and a molecular weight of 541.75 g/mol. Its IUPAC name is 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine.

Molecular Properties

Compound Name1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
PubChem CID159428427
Molecular FormulaC27H19N5S4
Molecular Weight541.75 g/mol
Exact Mass541.05
IUPAC Name1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
SMILESc1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2ncsc2c1.c1cnc2sccc2c1
InChIInChI=1S/3C7H5NS.C6H4N2S/c1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5/h3*1-5H;1-4H
InChIKeyLQRCQXPYQDZOSX-UHFFFAOYSA-N
XLogP8.58
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.75
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzothiazole;quinoxaline
CID 139508476
octakis(1,3-benzothiazole);sulfane
CID 173324926
1,3-benzothiazole;trihydrochloride
CID 162189976
azane;1,3-benzothiazole
CID 68815700
1,3-benzothiazole;zinc
CID 66588590
calcium;1,3-benzothiazole;hydride
CID 174565212
1,3-benzothiazole;1,3-benzoxazole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine
CID 158661636
1,3-benzothiazole;thiohydroxylamine
CID 174771488
formamide;thieno[3,2-b]pyridine
CID 174928706
1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine
CID 158094702
benzene;1,3-benzothiazole;cyclohexane
CID 158485406
1,3-benzothiazole;ethane-1,2-diol
CID 158729735

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine?
The IUPAC name of 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine (CID 159428427) is 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine.
What is the SMILES notation for 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine?
The canonical SMILES for 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine is c1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2ncsc2c1.c1cnc2sccc2c1.
What is the InChIKey of 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine?
The InChIKey is LQRCQXPYQDZOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H5NS.C6H4N2S/c1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5/h3*1-5H;1-4H.
What are the key properties of 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine?
1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine has a molecular weight of 541.75 g/mol, XLogP of 8.58, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine is sourced from PubChem (CID 159428427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).