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

C38H26N10O3S3 — CID 158661636

IUPAC1,3-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
SMILESc1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1
InChIInChI=1S/C7H5NO.C7H5NS.2C6H4N2O.2C6H4N2S/c2*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5/h2*1-5H;4*1-4H
InChIKeyICVGMAGXGPPABB-UHFFFAOYSA-N
MW766.89 g/mol
LogP9.95
Rot. Bonds

About 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

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 (PubChem CID 158661636) has the molecular formula C38H26N10O3S3 and a molecular weight of 766.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID158661636
Molecular FormulaC38H26N10O3S3
Molecular Weight766.89 g/mol
Exact Mass766.14
IUPAC Name1,3-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
SMILESc1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1
InChIInChI=1S/C7H5NO.C7H5NS.2C6H4N2O.2C6H4N2S/c2*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5/h2*1-5H;4*1-4H
InChIKeyICVGMAGXGPPABB-UHFFFAOYSA-N
XLogP9.95
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.89
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

1,3-benzoselenazole;1,3-benzothiazole;1,3-benzoxazole;3H-indole;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;3H-pyrrolo[3,2-b]pyridine;[1,3]selenazolo[4,5-b]pyridine;[1,3]selenazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine
CID 159530631
1,3-benzodioxole;1,3-benzothiazole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;quinoline
CID 158584401
1,3-benzothiazole;1-benzothiophene;nonadecakis(2,2-dimethylpropane);furo[2,3-b]pyrazine;furo[2,3-c]pyridazine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 159363804
1,3-benzothiazole;[1,3]thiazolo[4,5-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine
CID 159428427
[1,3]oxazolo[4,5-b]pyrazine;bis([1,3]oxazolo[4,5-b]pyridine)
CID 173130142
bis(2H-imidazo[4,5-b]pyridine);tris(2H-imidazo[4,5-c]pyridine);[1,3]oxazolo[4,5-b]pyrazine;[1,3]oxazolo[5,4-b]pyridine;[1,3]oxazolo[4,5-c]pyridazine;[1,3]oxazolo[5,4-c]pyridazine;[1,3]oxazolo[4,5-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;[1,3]oxazolo[4,5-d]pyridazine;[1,3]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-b]pyrazine;thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
CID 159335334
ethane;[1,3]thiazolo[5,4-b]pyridine
CID 123698734
bis(2H-imidazo[4,5-b]pyridine);bis(2H-imidazo[4,5-c]pyridine);bis([1,3]oxazolo[4,5-b]pyrazine);[1,3]oxazolo[4,5-b]pyridine;[1,3]oxazolo[4,5-c]pyridazine;bis([1,3]oxazolo[5,4-c]pyridazine);[1,3]oxazolo[4,5-c]pyridine;bis([1,3]oxazolo[5,4-c]pyridine);[1,3]oxazolo[4,5-d]pyridazine;[1,3]oxazolo[4,5-d]pyrimidine;bis([1,3]oxazolo[5,4-d]pyrimidine);[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridazine;[1,3]thiazolo[4,5-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;[1,3]thiazolo[4,5-d]pyridazine;[1,3]thiazolo[4,5-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
CID 158512557
octakis(1,3-benzothiazole);sulfane
CID 173324926
CID 70416438
CID 70416438
1,3-benzothiazole;trihydrochloride
CID 162189976
CID 161250572
CID 161250572

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2ocnc2c1.c1cnc2scnc2c1.
What is the InChIKey of 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?
The InChIKey is ICVGMAGXGPPABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO.C7H5NS.2C6H4N2O.2C6H4N2S/c2*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5/h2*1-5H;4*1-4H.
What are the key properties of 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?
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 has a molecular weight of 766.89 g/mol, XLogP of 9.95, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158661636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).