1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine

C167H146N32O5S7 — CID 159145135

IUPAC1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine
SMILESC1=CCN=C1.C1=Cc2cccnc2C1.C1=NC=NC1.C1=Nc2ccccc2C1.c1c[nH]cn1.c1cc2sccc2s1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C10H8.2C9H7N.3C8H6N2.3C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C6H4S2.2C5H5N.2C4H4N2.2C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-3-7-4-2-6-9-8(7)5-1;4*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-8H;2*1-7H;3*1-6H;2*1-4,6H,5H2;1-6,9H;2*1-6H;2*1-5H;1-4H;2*1-5H;2*1-4H;1-3H,4H2;1-5H;2*1-4H;1-3H;1,3H,2H2;1-3H,(H,4,5);4*1-3H
InChIKeyKIOWOEUVQOFJGC-UHFFFAOYSA-N
MW2905.69 g/mol
LogP42.19
Rot. Bonds

About 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine

1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine (PubChem CID 159145135) has the molecular formula C167H146N32O5S7 and a molecular weight of 2905.69 g/mol. Its IUPAC name is 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine.

Molecular Properties

Compound Name1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine
PubChem CID159145135
Molecular FormulaC167H146N32O5S7
Molecular Weight2905.69 g/mol
Exact Mass2903.02
IUPAC Name1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine
SMILESC1=CCN=C1.C1=Cc2cccnc2C1.C1=NC=NC1.C1=Nc2ccccc2C1.c1c[nH]cn1.c1cc2sccc2s1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C10H8.2C9H7N.3C8H6N2.3C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C6H4S2.2C5H5N.2C4H4N2.2C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-3-7-4-2-6-9-8(7)5-1;4*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-8H;2*1-7H;3*1-6H;2*1-4,6H,5H2;1-6,9H;2*1-6H;2*1-5H;1-4H;2*1-5H;2*1-4H;1-3H,4H2;1-5H;2*1-4H;1-3H;1,3H,2H2;1-3H,(H,4,5);4*1-3H
InChIKeyKIOWOEUVQOFJGC-UHFFFAOYSA-N
XLogP42.19
TPSA484.76 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002905.69
LogP ≤ 542.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine?
The IUPAC name of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine (CID 159145135) is 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine.
What is the SMILES notation for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine?
The canonical SMILES for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine is C1=CCN=C1.C1=Cc2cccnc2C1.C1=NC=NC1.C1=Nc2ccccc2C1.c1c[nH]cn1.c1cc2sccc2s1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1.
What is the InChIKey of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine?
The InChIKey is KIOWOEUVQOFJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.3C8H6N2.3C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C6H4S2.2C5H5N.2C4H4N2.2C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-3-7-4-2-6-9-8(7)5-1;4*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;4*1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h1-8H;2*1-7H;3*1-6H;2*1-4,6H,5H2;1-6,9H;2*1-6H;2*1-5H;1-4H;2*1-5H;2*1-4H;1-3H,4H2;1-5H;2*1-4H;1-3H;1,3H,2H2;1-3H,(H,4,5);4*1-3H.
What are the key properties of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine?
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine has a molecular weight of 2905.69 g/mol, XLogP of 42.19, 0 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;furan;1H-imidazole;4H-imidazole;1H-indole;3H-indole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine is sourced from PubChem (CID 159145135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).