2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C110H92BrN43O14S9 — CID 160860937

About 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 160860937) has the molecular formula C110H92BrN43O14S9 and a molecular weight of 2608.74 g/mol. Its IUPAC name is 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
• PubChem CID: 160860937
• Molecular Formula: C110H92BrN43O14S9
• Molecular Weight: 2608.74 g/mol
• Exact Mass: 2605.45
• IUPAC Name: 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
• SMILES: CS(=O)(=O)c1cccc(-c2ccc(N)c3cnccc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3cc(N)cnc3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3cnc(N)nc3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3nc(N)sc3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cccc3sc(Br)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3c(N)cccn23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3n2CCCC3)c1-c1nn[nH]n1
• InChI: InChI=1S/2C17H14N6O2S.C16H13N7O2S.C15H10BrN5O2S2.C15H13N7O2S.C15H12N6O2S2.C15H16N6O2S/c1-26(24,25)15-4-2-3-13(16(15)17-20-22-23-21-17)10-5-6-11-7-12(18)9-19-14(11)8-10;1-26(24,25)15-4-2-3-12(16(15)17-20-22-23-21-17)10-5-6-14(18)13-9-19-8-7-11(10)13;1-26(24,25)13-4-2-3-11(14(13)15-20-22-23-21-15)9-5-6-10-8-18-16(17)19-12(10)7-9;1-25(22,23)11-7-3-4-8(12(11)14-18-20-21-19-14)9-5-2-6-10-13(9)17-15(16)24-10;1-25(23,24)12-6-2-4-9(13(12)14-18-20-21-19-14)11-8-17-15-10(16)5-3-7-22(11)15;1-25(22,23)12-4-2-3-9(13(12)14-18-20-21-19-14)8-5-6-10-11(7-8)24-15(16)17-10;1-24(22,23)12-6-4-5-10(14(12)15-17-19-20-18-15)11-9-16-13-7-2-3-8-21(11)13/h2*2-9H,18H2,1H3,(H,20,21,22,23);2-8H,1H3,(H2,17,18,19)(H,20,21,22,23);2-7H,1H3,(H,18,19,20,21);2-8H,16H2,1H3,(H,18,19,20,21);2-7H,1H3,(H2,16,17)(H,18,19,20,21);4-6,9H,2-3,7-8H2,1H3,(H,17,18,19,20)
• InChIKey: SKLXPVSQYASSRT-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 862.76 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 52
• Rotatable Bonds: 21
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2608.74
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?

The IUPAC name of 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 160860937) is 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

What is the SMILES notation for 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?

The canonical SMILES for 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CS(=O)(=O)c1cccc(-c2ccc(N)c3cnccc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3cc(N)cnc3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3cnc(N)nc3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2ccc3nc(N)sc3c2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cccc3sc(Br)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3c(N)cccn23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3n2CCCC3)c1-c1nn[nH]n1.

What is the InChIKey of 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?

The InChIKey is SKLXPVSQYASSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14N6O2S.C16H13N7O2S.C15H10BrN5O2S2.C15H13N7O2S.C15H12N6O2S2.C15H16N6O2S/c1-26(24,25)15-4-2-3-13(16(15)17-20-22-23-21-17)10-5-6-11-7-12(18)9-19-14(11)8-10;1-26(24,25)15-4-2-3-12(16(15)17-20-22-23-21-17)10-5-6-14(18)13-9-19-8-7-11(10)13;1-26(24,25)13-4-2-3-11(14(13)15-20-22-23-21-15)9-5-6-10-8-18-16(17)19-12(10)7-9;1-25(22,23)11-7-3-4-8(12(11)14-18-20-21-19-14)9-5-2-6-10-13(9)17-15(16)24-10;1-25(23,24)12-6-2-4-9(13(12)14-18-20-21-19-14)11-8-17-15-10(16)5-3-7-22(11)15;1-25(22,23)12-4-2-3-9(13(12)14-18-20-21-19-14)8-5-6-10-11(7-8)24-15(16)17-10;1-24(22,23)12-6-4-5-10(14(12)15-17-19-20-18-15)11-9-16-13-7-2-3-8-21(11)13/h2*2-9H,18H2,1H3,(H,20,21,22,23);2-8H,1H3,(H2,17,18,19)(H,20,21,22,23);2-7H,1H3,(H,18,19,20,21);2-8H,16H2,1H3,(H,18,19,20,21);2-7H,1H3,(H2,16,17)(H,18,19,20,21);4-6,9H,2-3,7-8H2,1H3,(H,17,18,19,20).

What are the key properties of 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?

2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 2608.74 g/mol, XLogP of 13.67, 21 rotatable bonds, 12 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazole;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridin-8-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-8-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinazolin-2-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]quinolin-3-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 160860937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).