4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C97H79F4N43O11S7 — CID 158567433

About 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 158567433) has the molecular formula C97H79F4N43O11S7 and a molecular weight of 2323.45 g/mol. Its IUPAC name is 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

• Compound Name: 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
• PubChem CID: 158567433
• Molecular Formula: C97H79F4N43O11S7
• Molecular Weight: 2323.45 g/mol
• Exact Mass: 2321.49
• IUPAC Name: 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
• SMILES: C=S(N)(=O)c1cccc(-c2cccc3sc(NC4CCN(CCF)CC4)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3ccc(C#N)cn23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3cccc(C#N)n23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3cnccn23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3ncccn23)c1-c1nn[nH]n1
• InChI: InChI=1S/C22H25FN8OS2.2C16H11N7O2S.C15H10F3N7O2S.2C14H11N7O2S/c1-34(24,32)18-7-3-4-15(19(18)21-27-29-30-28-21)16-5-2-6-17-20(16)26-22(33-17)25-14-8-11-31(12-9-14)13-10-23;1-26(24,25)13-6-3-5-11(15(13)16-19-21-22-20-16)12-9-18-14-7-2-4-10(8-17)23(12)14;1-26(24,25)13-4-2-3-11(15(13)16-19-21-22-20-16)12-8-18-14-6-5-10(7-17)9-23(12)14;1-28(26,27)10-4-2-3-8(12(10)13-21-23-24-22-13)9-7-19-14-20-11(15(16,17)18)5-6-25(9)14;1-24(22,23)11-5-2-4-9(12(11)13-17-19-20-18-13)10-8-16-14-15-6-3-7-21(10)14;1-24(22,23)11-4-2-3-9(13(11)14-17-19-20-18-14)10-7-16-12-8-15-5-6-21(10)12/h2-7,14H,1,8-13H2,(H2,24,32)(H,25,26)(H,27,28,29,30);2-7,9H,1H3,(H,19,20,21,22);2-6,8-9H,1H3,(H,19,20,21,22);2-7H,1H3,(H,21,22,23,24);2*2-8H,1H3,(H,17,18,19,20)
• InChIKey: HRQQTILKTDWZJA-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 741.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2323.45
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?

The IUPAC name of 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 158567433) is 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

What is the SMILES notation for 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?

The canonical SMILES for 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is C=S(N)(=O)c1cccc(-c2cccc3sc(NC4CCN(CCF)CC4)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3ccc(C#N)cn23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3cccc(C#N)n23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3cnccn23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3nc(C(F)(F)F)ccn23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cnc3ncccn23)c1-c1nn[nH]n1.

What is the InChIKey of 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?

The InChIKey is HRQQTILKTDWZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8OS2.2C16H11N7O2S.C15H10F3N7O2S.2C14H11N7O2S/c1-34(24,32)18-7-3-4-15(19(18)21-27-29-30-28-21)16-5-2-6-17-20(16)26-22(33-17)25-14-8-11-31(12-9-14)13-10-23;1-26(24,25)13-6-3-5-11(15(13)16-19-21-22-20-16)12-9-18-14-7-2-4-10(8-17)23(12)14;1-26(24,25)13-4-2-3-11(15(13)16-19-21-22-20-16)12-8-18-14-6-5-10(7-17)9-23(12)14;1-28(26,27)10-4-2-3-8(12(10)13-21-23-24-22-13)9-7-19-14-20-11(15(16,17)18)5-6-25(9)14;1-24(22,23)11-5-2-4-9(12(11)13-17-19-20-18-13)10-8-16-14-15-6-3-7-21(10)14;1-24(22,23)11-4-2-3-9(13(11)14-17-19-20-18-14)10-7-16-12-8-15-5-6-21(10)12/h2-7,14H,1,8-13H2,(H2,24,32)(H,25,26)(H,27,28,29,30);2-7,9H,1H3,(H,19,20,21,22);2-6,8-9H,1H3,(H,19,20,21,22);2-7H,1H3,(H,21,22,23,24);2*2-8H,1H3,(H,17,18,19,20).

What are the key properties of 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?

4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 2323.45 g/mol, XLogP of 9.81, 22 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(amino-methylidene-oxo-λ6-sulfanyl)-2-(2H-tetrazol-5-yl)phenyl]-N-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-benzothiazol-2-amine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-5-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-6-carbonitrile;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyrimidine;3-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 158567433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).