methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

C133H148N24O9S6 — CID 158062612

About methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 158062612) has the molecular formula C133H148N24O9S6 and a molecular weight of 2419.21 g/mol. Its IUPAC name is methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
• PubChem CID: 158062612
• Molecular Formula: C133H148N24O9S6
• Molecular Weight: 2419.21 g/mol
• Exact Mass: 2417.02
• IUPAC Name: methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
• SMILES: C.CC(=O)c1cc(Oc2ccc3nc(NC4CCCCC4C)sc3c2)ccn1.CC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4C)sc3c2)ccn1.CC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4C)sc3c2)ccn1.CC1CCCCC1Nc1nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2s1.C[C@@H]1CCCC[C@H]1Nc1nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2s1.C[C@H]1CCCC[C@@H]1Nc1nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2s1
• InChI: InChI=1S/3C23H25N5OS.3C21H23N3O2S.CH4/c3*1-15-5-3-4-6-19(15)26-23-27-20-8-7-17(12-22(20)30-23)29-18-9-10-24-21(11-18)16-13-25-28(2)14-16;3*1-13-5-3-4-6-17(13)23-21-24-18-8-7-15(12-20(18)27-21)26-16-9-10-22-19(11-16)14(2)25;/h3*7-15,19H,3-6H2,1-2H3,(H,26,27);3*7-13,17H,3-6H2,1-2H3,(H,23,24);1H4/t2*15-,19-;;2*13-,17-;;/m10.10../s1
• InChIKey: FKVHAIPTCRDTOT-WMYRBQMASA-N
• XLogP: 35.29
• TPSA: 386.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2419.21
LogP ≤ 5	35.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

The IUPAC name of methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 158062612) is methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

What is the SMILES notation for methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

The canonical SMILES for methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is C.CC(=O)c1cc(Oc2ccc3nc(NC4CCCCC4C)sc3c2)ccn1.CC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4C)sc3c2)ccn1.CC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCC[C@@H]4C)sc3c2)ccn1.CC1CCCCC1Nc1nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2s1.C[C@@H]1CCCC[C@H]1Nc1nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2s1.C[C@H]1CCCC[C@@H]1Nc1nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2s1.

What is the InChIKey of methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

The InChIKey is FKVHAIPTCRDTOT-WMYRBQMASA-N. The full InChI is InChI=1S/3C23H25N5OS.3C21H23N3O2S.CH4/c3*1-15-5-3-4-6-19(15)26-23-27-20-8-7-17(12-22(20)30-23)29-18-9-10-24-21(11-18)16-13-25-28(2)14-16;3*1-13-5-3-4-6-17(13)23-21-24-18-8-7-15(12-20(18)27-21)26-16-9-10-22-19(11-16)14(2)25;/h3*7-15,19H,3-6H2,1-2H3,(H,26,27);3*7-13,17H,3-6H2,1-2H3,(H,23,24);1H4/t2*15-,19-;;2*13-,17-;;/m10.10../s1.

What are the key properties of methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 2419.21 g/mol, XLogP of 35.29, 30 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-[4-[[2-[[(1R,2R)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;1-[4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]-2-pyridinyl]ethanone;N-[(1R,2R)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-[(1S,2S)-2-methylcyclohexyl]-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 158062612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).