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

C216H311N31O9S10 — CID 159363804

About 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

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 (PubChem CID 159363804) has the molecular formula C216H311N31O9S10 and a molecular weight of 3806.74 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159363804
• Molecular Formula: C216H311N31O9S10
• Molecular Weight: 3806.74 g/mol
• Exact Mass: 3803.20
• IUPAC Name: 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
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2ccoc2nn1.c1cc2ccsc2cn1.c1cc2cnncc2o1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2ocnc2cn1.c1cc2sccc2cn1.c1cc2scnc2cn1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2occc2n1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1.c1ncc2ccoc2n1.c1ncc2occc2n1
• InChI: InChI=1S/C8H6S.5C7H5NS.9C6H4N2O.4C6H4N2S.19C5H12/c1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(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;1-4-9-6-5(1)7-2-3-8-6;1-3-7-8-6-5(1)2-4-9-6;1-2-7-3-5-6(1)9-4-8-5;1-2-9-6-3-7-4-8-5(1)6;1-2-7-3-6-5(1)8-4-9-6;1-2-9-6-5(1)3-7-4-8-6;1-2-9-6-4-8-7-3-5(1)6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;19*1-5(2,3)4/h1-6H;5*1-5H;13*1-4H;19*1-4H3
• InChIKey: LIWGPSBLDIPZQX-UHFFFAOYSA-N
• XLogP: 71.15
• TPSA: 517.85 Ų
• H-Bond Acceptors: 50
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3806.74
LogP ≤ 5	71.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2ccoc2nn1.c1cc2ccsc2cn1.c1cc2cnncc2o1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2ocnc2cn1.c1cc2sccc2cn1.c1cc2scnc2cn1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2ncoc2c1.c1cnc2ncsc2c1.c1cnc2occc2n1.c1cnc2ocnc2c1.c1cnc2sccc2c1.c1cnc2scnc2c1.c1ncc2ccoc2n1.c1ncc2occc2n1.

What is the InChIKey of 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?

The InChIKey is LIWGPSBLDIPZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S.5C7H5NS.9C6H4N2O.4C6H4N2S.19C5H12/c1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(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;1-4-9-6-5(1)7-2-3-8-6;1-3-7-8-6-5(1)2-4-9-6;1-2-7-3-5-6(1)9-4-8-5;1-2-9-6-3-7-4-8-5(1)6;1-2-7-3-6-5(1)8-4-9-6;1-2-9-6-5(1)3-7-4-8-6;1-2-9-6-4-8-7-3-5(1)6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-5-6(1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;19*1-5(2,3)4/h1-6H;5*1-5H;13*1-4H;19*1-4H3.

What are the key properties of 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?

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 has a molecular weight of 3806.74 g/mol, XLogP of 71.15, 0 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159363804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).