2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine

C92H102N34O10S8 — CID 157119169

About 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine

2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine (PubChem CID 157119169) has the molecular formula C92H102N34O10S8 and a molecular weight of 2100.59 g/mol. Its IUPAC name is 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine
• PubChem CID: 157119169
• Molecular Formula: C92H102N34O10S8
• Molecular Weight: 2100.59 g/mol
• Exact Mass: 2098.63
• IUPAC Name: 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine
• SMILES: CN(C)CCNc1nc2c(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cccc2s1.CNCCN(C)c1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1.CS(=O)(=O)c1cccc(-c2ccc(CCC3CCN3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cccc3sc(NC4CCC(N)CC4)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cccc3sc(NCCN)nc23)c1-c1nn[nH]n1
• InChI: InChI=1S/C21H23N7O2S2.C19H21N7O2S2.C18H20N6O2S.C17H17N7O2S2.C17H21N7O2S/c1-32(29,30)17-7-3-4-14(18(17)20-25-27-28-26-20)15-5-2-6-16-19(15)24-21(31-16)23-13-10-8-12(22)9-11-13;1-26(2)11-10-20-19-21-17-13(7-4-8-14(17)29-19)12-6-5-9-15(30(3,27)28)16(12)18-22-24-25-23-18;1-27(25,26)16-4-2-3-15(17(16)18-21-23-24-22-18)12-5-6-13(20-11-12)7-8-14-9-10-19-14;1-28(25,26)13-7-3-4-10(14(13)16-21-23-24-22-16)11-5-2-6-12-15(11)20-17(27-12)19-9-8-18;1-18-9-10-24(2)15-8-7-12(11-19-15)13-5-4-6-14(27(3,25)26)16(13)17-20-22-23-21-17/h2-7,12-13H,8-11,22H2,1H3,(H,23,24)(H,25,26,27,28);4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23,24,25);2-6,11,14,19H,7-10H2,1H3,(H,21,22,23,24);2-7H,8-9,18H2,1H3,(H,19,20)(H,21,22,23,24);4-8,11,18H,9-10H2,1-3H3,(H,20,21,22,23)
• InChIKey: AHTJPXVLPKBZNU-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 626.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2100.59
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine?

The IUPAC name of 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine (CID 157119169) is 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine.

What is the SMILES notation for 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine?

The canonical SMILES for 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine is CN(C)CCNc1nc2c(-c3cccc(S(C)(=O)=O)c3-c3nn[nH]n3)cccc2s1.CNCCN(C)c1ccc(-c2cccc(S(C)(=O)=O)c2-c2nn[nH]n2)cn1.CS(=O)(=O)c1cccc(-c2ccc(CCC3CCN3)nc2)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cccc3sc(NC4CCC(N)CC4)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1cccc(-c2cccc3sc(NCCN)nc23)c1-c1nn[nH]n1.

What is the InChIKey of 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine?

The InChIKey is AHTJPXVLPKBZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2S2.C19H21N7O2S2.C18H20N6O2S.C17H17N7O2S2.C17H21N7O2S/c1-32(29,30)17-7-3-4-14(18(17)20-25-27-28-26-20)15-5-2-6-16-19(15)24-21(31-16)23-13-10-8-12(22)9-11-13;1-26(2)11-10-20-19-21-17-13(7-4-8-14(17)29-19)12-6-5-9-15(30(3,27)28)16(12)18-22-24-25-23-18;1-27(25,26)16-4-2-3-15(17(16)18-21-23-24-22-18)12-5-6-13(20-11-12)7-8-14-9-10-19-14;1-28(25,26)13-7-3-4-10(14(13)16-21-23-24-22-16)11-5-2-6-12-15(11)20-17(27-12)19-9-8-18;1-18-9-10-24(2)15-8-7-12(11-19-15)13-5-4-6-14(27(3,25)26)16(13)17-20-22-23-21-17/h2-7,12-13H,8-11,22H2,1H3,(H,23,24)(H,25,26,27,28);4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23,24,25);2-6,11,14,19H,7-10H2,1H3,(H,21,22,23,24);2-7H,8-9,18H2,1H3,(H,19,20)(H,21,22,23,24);4-8,11,18H,9-10H2,1-3H3,(H,20,21,22,23).

What are the key properties of 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine?

2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine has a molecular weight of 2100.59 g/mol, XLogP of 10.28, 31 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 157119169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).