3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide

C93H119N23O13S8 — CID 159660947

About 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide

3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 159660947) has the molecular formula C93H119N23O13S8 and a molecular weight of 2023.66 g/mol. Its IUPAC name is 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
• PubChem CID: 159660947
• Molecular Formula: C93H119N23O13S8
• Molecular Weight: 2023.66 g/mol
• Exact Mass: 2021.71
• IUPAC Name: 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
• SMILES: CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCC(O)CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCN(CC4CC4)CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCNC(C)(C)C3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3C[C@@H](C)N[C@@H](C)C3)nc2)cs1
• InChI: InChI=1S/C25H32N6O3S2.2C23H30N6O3S2.C22H27N5O4S2/c1-17(2)34-23-7-6-20(36(26,32)33)13-21(23)28-25-29-22(16-35-25)19-5-8-24(27-14-19)31-11-9-30(10-12-31)15-18-3-4-18;1-14(2)32-21-7-6-18(34(24,30)31)9-19(21)27-23-28-20(13-33-23)17-5-8-22(25-10-17)29-11-15(3)26-16(4)12-29;1-15(2)32-20-7-6-17(34(24,30)31)11-18(20)27-22-28-19(13-33-22)16-5-8-21(25-12-16)29-10-9-26-23(3,4)14-29;1-14(2)31-20-5-4-17(33(23,29)30)11-18(20)25-22-26-19(13-32-22)15-3-6-21(24-12-15)27-9-7-16(28)8-10-27/h5-8,13-14,16-18H,3-4,9-12,15H2,1-2H3,(H,28,29)(H2,26,32,33);5-10,13-16,26H,11-12H2,1-4H3,(H,27,28)(H2,24,30,31);5-8,11-13,15,26H,9-10,14H2,1-4H3,(H,27,28)(H2,24,30,31);3-6,11-14,16,28H,7-10H2,1-2H3,(H,25,26)(H2,23,29,30)/t;15-,16+
• InChIKey: MSUIJIUABCPZRP-YCOHQTMZSA-N
• XLogP: 14.40
• TPSA: 489.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2023.66
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The IUPAC name of 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide (CID 159660947) is 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide.

What is the SMILES notation for 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The canonical SMILES for 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCC(O)CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCN(CC4CC4)CC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCNC(C)(C)C3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3C[C@@H](C)N[C@@H](C)C3)nc2)cs1.

What is the InChIKey of 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The InChIKey is MSUIJIUABCPZRP-YCOHQTMZSA-N. The full InChI is InChI=1S/C25H32N6O3S2.2C23H30N6O3S2.C22H27N5O4S2/c1-17(2)34-23-7-6-20(36(26,32)33)13-21(23)28-25-29-22(16-35-25)19-5-8-24(27-14-19)31-11-9-30(10-12-31)15-18-3-4-18;1-14(2)32-21-7-6-18(34(24,30)31)9-19(21)27-23-28-20(13-33-23)17-5-8-22(25-10-17)29-11-15(3)26-16(4)12-29;1-15(2)32-20-7-6-17(34(24,30)31)11-18(20)27-22-28-19(13-33-22)16-5-8-21(25-12-16)29-10-9-26-23(3,4)14-29;1-14(2)31-20-5-4-17(33(23,29)30)11-18(20)25-22-26-19(13-32-22)15-3-6-21(24-12-15)27-9-7-16(28)8-10-27/h5-8,13-14,16-18H,3-4,9-12,15H2,1-2H3,(H,28,29)(H2,26,32,33);5-10,13-16,26H,11-12H2,1-4H3,(H,27,28)(H2,24,30,31);5-8,11-13,15,26H,9-10,14H2,1-4H3,(H,27,28)(H2,24,30,31);3-6,11-14,16,28H,7-10H2,1-2H3,(H,25,26)(H2,23,29,30)/t;15-,16+;;.

What are the key properties of 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 2023.66 g/mol, XLogP of 14.40, 30 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(3,3-dimethylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 159660947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).