3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

C107H131N27O18S10 — CID 162116704

About 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide

3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 162116704) has the molecular formula C107H131N27O18S10 and a molecular weight of 2404.07 g/mol. Its IUPAC name is 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
• PubChem CID: 162116704
• Molecular Formula: C107H131N27O18S10
• Molecular Weight: 2404.07 g/mol
• Exact Mass: 2401.74
• IUPAC Name: 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide
• SMILES: CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(C3=CCNCC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N(C)CCO)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCCCC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCNC(C(N)=O)C3)nc2)cs1.COCCN(C)c1ccc(-c2csc(Nc3cc(S(N)(=O)=O)ccc3OC(C)C)n2)cn1
• InChI: InChI=1S/C22H27N7O4S2.C22H25N5O3S2.C22H27N5O3S2.C21H27N5O4S2.C20H25N5O4S2/c1-13(2)33-19-5-4-15(35(24,31)32)9-16(19)27-22-28-18(12-34-22)14-3-6-20(26-10-14)29-8-7-25-17(11-29)21(23)30;1-14(2)30-21-6-4-17(32(23,28)29)11-19(21)26-22-27-20(13-31-22)16-3-5-18(25-12-16)15-7-9-24-10-8-15;1-15(2)30-20-8-7-17(32(23,28)29)12-18(20)25-22-26-19(14-31-22)16-6-9-21(24-13-16)27-10-4-3-5-11-27;1-14(2)30-19-7-6-16(32(22,27)28)11-17(19)24-21-25-18(13-31-21)15-5-8-20(23-12-15)26(3)9-10-29-4;1-13(2)29-18-6-5-15(31(21,27)28)10-16(18)23-20-24-17(12-30-20)14-4-7-19(22-11-14)25(3)8-9-26/h3-6,9-10,12-13,17,25H,7-8,11H2,1-2H3,(H2,23,30)(H,27,28)(H2,24,31,32);3-7,11-14,24H,8-10H2,1-2H3,(H,26,27)(H2,23,28,29);6-9,12-15H,3-5,10-11H2,1-2H3,(H,25,26)(H2,23,28,29);5-8,11-14H,9-10H2,1-4H3,(H,24,25)(H2,22,27,28);4-7,10-13,26H,8-9H2,1-3H3,(H,23,24)(H2,21,27,28)
• InChIKey: ZGWBNUCSSJCRGF-UHFFFAOYSA-N
• XLogP: 16.06
• TPSA: 645.57 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 44
• Rotatable Bonds: 41
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2404.07
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

The IUPAC name of 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 162116704) is 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide.

What is the SMILES notation for 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

The canonical SMILES for 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(C3=CCNCC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N(C)CCO)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCCCC3)nc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(N3CCNC(C(N)=O)C3)nc2)cs1.COCCN(C)c1ccc(-c2csc(Nc3cc(S(N)(=O)=O)ccc3OC(C)C)n2)cn1.

What is the InChIKey of 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

The InChIKey is ZGWBNUCSSJCRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O4S2.C22H25N5O3S2.C22H27N5O3S2.C21H27N5O4S2.C20H25N5O4S2/c1-13(2)33-19-5-4-15(35(24,31)32)9-16(19)27-22-28-18(12-34-22)14-3-6-20(26-10-14)29-8-7-25-17(11-29)21(23)30;1-14(2)30-21-6-4-17(32(23,28)29)11-19(21)26-22-27-20(13-31-22)16-3-5-18(25-12-16)15-7-9-24-10-8-15;1-15(2)30-20-8-7-17(32(23,28)29)12-18(20)25-22-26-19(14-31-22)16-6-9-21(24-13-16)27-10-4-3-5-11-27;1-14(2)30-19-7-6-16(32(22,27)28)11-17(19)24-21-25-18(13-31-21)15-5-8-20(23-12-15)26(3)9-10-29-4;1-13(2)29-18-6-5-15(31(21,27)28)10-16(18)23-20-24-17(12-30-20)14-4-7-19(22-11-14)25(3)8-9-26/h3-6,9-10,12-13,17,25H,7-8,11H2,1-2H3,(H2,23,30)(H,27,28)(H2,24,31,32);3-7,11-14,24H,8-10H2,1-2H3,(H,26,27)(H2,23,28,29);6-9,12-15H,3-5,10-11H2,1-2H3,(H,25,26)(H2,23,28,29);5-8,11-14H,9-10H2,1-4H3,(H,24,25)(H2,22,27,28);4-7,10-13,26H,8-9H2,1-3H3,(H,23,24)(H2,21,27,28).

What are the key properties of 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide?

3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 2404.07 g/mol, XLogP of 16.06, 41 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;4-[5-[2-(2-propan-2-yloxy-5-sulfamoylanilino)-1,3-thiazol-4-yl]-2-pyridinyl]piperazine-2-carboxamide;4-propan-2-yloxy-3-[[4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 162116704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).