[1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine

C207H185N29O9S11 — CID 158438132

About [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine

[1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine (PubChem CID 158438132) has the molecular formula C207H185N29O9S11 and a molecular weight of 3575.69 g/mol. Its IUPAC name is [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
• PubChem CID: 158438132
• Molecular Formula: C207H185N29O9S11
• Molecular Weight: 3575.69 g/mol
• Exact Mass: 3572.18
• IUPAC Name: [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)oc1nccnc12.c1ccc2c(c1)oc1ncncc12.c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1ncccc12.c1ccc2c(c1)sc1nccnc12.c1ccc2c(c1)sc1ncncc12.c1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2oc3ccncc3c2c1.c1cnc2oc3ncccc3c2c1.c1cnc2sccc2n1.c1ncc2ccsc2n1.c1ncc2sccc2n1
• InChI: InChI=1S/5C11H7NO.4C11H7NS.4C10H6N2O.2C10H6N2S.2C7H5NS.3C6H4N2S.16CH4/c2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;;;;;;;;;;;;;;;;/h9*1-7H;6*1-6H;2*1-5H;3*1-4H;16*1H4
• InChIKey: HCMFFQFTUATAJH-UHFFFAOYSA-N
• XLogP: 63.74
• TPSA: 492.07 Ų
• H-Bond Acceptors: 49
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3575.69
LogP ≤ 5	63.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?

The IUPAC name of [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine (CID 158438132) is [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine.

What is the SMILES notation for [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?

The canonical SMILES for [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1cnccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)oc1nccnc12.c1ccc2c(c1)oc1ncncc12.c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1ncccc12.c1ccc2c(c1)sc1nccnc12.c1ccc2c(c1)sc1ncncc12.c1ccc2scnc2c1.c1cnc2ccsc2c1.c1cnc2oc3ccncc3c2c1.c1cnc2oc3ncccc3c2c1.c1cnc2sccc2n1.c1ncc2ccsc2n1.c1ncc2sccc2n1.

What is the InChIKey of [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?

The InChIKey is HCMFFQFTUATAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C11H7NO.4C11H7NS.4C10H6N2O.2C10H6N2S.2C7H5NS.3C6H4N2S.16CH4/c2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-7-6(8-4-1)3-5-9-7;1-2-4-7-6(3-1)8-5-9-7;1-4-9-6-5(1)7-2-3-8-6;1-2-9-6-3-7-4-8-5(1)6;1-2-9-6-5(1)3-7-4-8-6;;;;;;;;;;;;;;;;/h9*1-7H;6*1-6H;2*1-5H;3*1-4H;16*1H4.

What are the key properties of [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine?

[1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine has a molecular weight of 3575.69 g/mol, XLogP of 63.74, 0 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for [1]benzofuro[2,3-b]pyrazine;bis([1]benzofuro[2,3-b]pyridine);[1]benzofuro[3,2-b]pyridine;[1]benzofuro[2,3-c]pyridine;[1]benzofuro[3,2-c]pyridine;[1]benzofuro[2,3-d]pyrimidine;1,3-benzothiazole;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-b]pyridine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;methane;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;thieno[2,3-b]pyrazine;thieno[3,2-b]pyridine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine is sourced from PubChem (CID 158438132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).