1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine

C225H174N64O8S4 — CID 157237191

About 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine

1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine (PubChem CID 157237191) has the molecular formula C225H174N64O8S4 and a molecular weight of 4030.57 g/mol. Its IUPAC name is 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine.

Molecular Properties

• Compound Name: 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine
• PubChem CID: 157237191
• Molecular Formula: C225H174N64O8S4
• Molecular Weight: 4030.57 g/mol
• Exact Mass: 4027.41
• IUPAC Name: 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine
• SMILES: Cn1ncc2ccccc21.O=c1ccc2ccccc2o1.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2cnoc2cn1.c1ccc(-c2cscn2)cc1.c1ccc(-n2ncc3ccccc32)cc1.c1ccc(Cn2ncc3ccccc32)cc1.c1ccc2[nH]ncc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2oncc2c1.c1ccc2sncc2c1.c1ccncc1.c1ccnnc1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2cnoc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1ncc2[nH]cnc2n1.c1ncc2cc[nH]c2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2ncoc2n1.c1ncc2ncsc2n1.c1ncc2oncc2n1.c1ncncn1
• InChI: InChI=1S/C14H12N2.C13H10N2.C9H7NS.C9H7N.C9H6O2.C8H8N2.9C8H6N2.C7H6N2.C7H5NO.C7H5NS.C6H5N3.3C6H4N2O.C6H4N2S.C5H4N4.2C5H3N3O.C5H3N3S.C5H5N.3C4H4N2.C3H3N3/c1-2-6-12(7-3-1)11-16-14-9-5-4-8-13(14)10-15-16;1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15;1-2-4-8(5-3-1)9-6-11-7-10-9;1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-10-8-5-3-2-4-7(8)6-9-10;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-10-8;3*1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(1)3-7-4-9-6;1-2-9-6-5(1)3-7-4-8-6;1-2-7-4-6-5(1)3-8-9-6;1-2-6-5(7-3-1)4-8-9-6;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4;1-4-5(7-2-6-1)9-3-8-4;1-4-5(9-8-1)2-6-3-7-4;1-4-5(7-2-6-1)9-3-8-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1/h1-10H,11H2;1-10H;1-7H;1-7H;1-6H;2-6H,1H3;9*1-6H;1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);4*1-4H;1-3H,(H,6,7,8,9);3*1-3H;1-5H;3*1-4H;1-3H
• InChIKey: AUTUKXMFRDCLCE-UHFFFAOYSA-N
• XLogP: 46.25
• TPSA: 918.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 73
• Rotatable Bonds: 4
• Heavy Atoms: 301
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4030.57
LogP ≤ 5	46.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	73

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine?

The IUPAC name of 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine (CID 157237191) is 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine.

What is the SMILES notation for 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine?

The canonical SMILES for 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine is Cn1ncc2ccccc21.O=c1ccc2ccccc2o1.c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2cnoc2cn1.c1ccc(-c2cscn2)cc1.c1ccc(-n2ncc3ccccc32)cc1.c1ccc(Cn2ncc3ccccc32)cc1.c1ccc2[nH]ncc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2oncc2c1.c1ccc2sncc2c1.c1ccncc1.c1ccnnc1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2cnccc2c1.c1cnc2cnoc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1ncc2[nH]cnc2n1.c1ncc2cc[nH]c2n1.c1ncc2ccoc2n1.c1ncc2ccsc2n1.c1ncc2ncoc2n1.c1ncc2ncsc2n1.c1ncc2oncc2n1.c1ncncn1.

What is the InChIKey of 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine?

The InChIKey is AUTUKXMFRDCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C13H10N2.C9H7NS.C9H7N.C9H6O2.C8H8N2.9C8H6N2.C7H6N2.C7H5NO.C7H5NS.C6H5N3.3C6H4N2O.C6H4N2S.C5H4N4.2C5H3N3O.C5H3N3S.C5H5N.3C4H4N2.C3H3N3/c1-2-6-12(7-3-1)11-16-14-9-5-4-8-13(14)10-15-16;1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14-15;1-2-4-8(5-3-1)9-6-11-7-10-9;1-2-6-9-8(4-1)5-3-7-10-9;10-9-6-5-7-3-1-2-4-8(7)11-9;1-10-8-5-3-2-4-7(8)6-9-10;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-3-5-9-6-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-10-8;3*1-2-4-7-6(3-1)5-8-9-7;1-2-8-6-5(1)3-7-4-9-6;1-2-9-6-5(1)3-7-4-8-6;1-2-7-4-6-5(1)3-8-9-6;1-2-6-5(7-3-1)4-8-9-6;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4;1-4-5(7-2-6-1)9-3-8-4;1-4-5(9-8-1)2-6-3-7-4;1-4-5(7-2-6-1)9-3-8-4;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1/h1-10H,11H2;1-10H;1-7H;1-7H;1-6H;2-6H,1H3;9*1-6H;1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9);4*1-4H;1-3H,(H,6,7,8,9);3*1-3H;1-5H;3*1-4H;1-3H.

What are the key properties of 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine?

1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine has a molecular weight of 4030.57 g/mol, XLogP of 46.25, 4 rotatable bonds, 3 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-benzothiazole;1,2-benzoxazole;1-benzylindazole;chromen-2-one;cinnoline;furo[2,3-d]pyrimidine;1H-indazole;1-methylindazole;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;[1,2]oxazolo[4,5-b]pyridine;[1,2]oxazolo[5,4-c]pyridine;[1,2]oxazolo[4,5-d]pyrimidine;[1,3]oxazolo[5,4-d]pyrimidine;1-phenylindazole;4-phenyl-1,3-thiazole;phthalazine;7H-purine;pyrazine;pyridazine;pyridine;pyrimidine;7H-pyrrolo[2,3-d]pyrimidine;quinazoline;quinoline;[1,3]thiazolo[5,4-d]pyrimidine;thieno[2,3-d]pyrimidine;1,3,5-triazine is sourced from PubChem (CID 157237191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).