4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide

C117H134F5N19O11S7 — CID 159839754

About 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide

4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 159839754) has the molecular formula C117H134F5N19O11S7 and a molecular weight of 2301.94 g/mol. Its IUPAC name is 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
• PubChem CID: 159839754
• Molecular Formula: C117H134F5N19O11S7
• Molecular Weight: 2301.94 g/mol
• Exact Mass: 2299.85
• IUPAC Name: 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
• SMILES: CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CCOCC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CC[C@@H](F)C3)cc2)cs1
• InChI: InChI=1S/C25H29FN4O2S.C24H29FN4O3S2.C24H27FN4OS.C23H28N4O4S2.C21H21F2N3OS/c1-16(2)32-23-8-7-19(24(27)31)13-21(23)28-25-29-22(15-33-25)18-5-3-17(4-6-18)14-30-11-9-20(26)10-12-30;1-16(2)32-23-8-7-20(34(26,30)31)13-21(23)27-24-28-22(15-33-24)18-5-3-17(4-6-18)14-29-11-9-19(25)10-12-29;1-30-23-9-6-19(25)14-21(23)26-24-27-22(16-31-24)18-4-2-17(3-5-18)15-28-10-12-29(13-11-28)20-7-8-20;1-16(2)31-22-8-7-19(33(24,28)29)13-20(22)25-23-26-21(15-32-23)18-5-3-17(4-6-18)14-27-9-11-30-12-10-27;1-27-20-7-6-16(22)10-18(20)24-21-25-19(13-28-21)15-4-2-14(3-5-15)11-26-9-8-17(23)12-26/h3-8,13,15-16,20H,9-12,14H2,1-2H3,(H2,27,31)(H,28,29);3-8,13,15-16,19H,9-12,14H2,1-2H3,(H,27,28)(H2,26,30,31);2-6,9,14,16,20H,7-8,10-13,15H2,1H3,(H,26,27);3-8,13,15-16H,9-12,14H2,1-2H3,(H,25,26)(H2,24,28,29);2-7,10,13,17H,8-9,11-12H2,1H3,(H,24,25)/t;;;;17-/m....1/s1
• InChIKey: NONKLQDZNQACJD-DCIUFERCSA-N
• XLogP: 24.34
• TPSA: 362.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2301.94
LogP ≤ 5	24.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The IUPAC name of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide (CID 159839754) is 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide.

What is the SMILES notation for 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The canonical SMILES for 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CCC(F)CC3)cc2)cs1.CC(C)Oc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2ccc(CN3CCOCC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CCN(C4CC4)CC3)cc2)cs1.COc1ccc(F)cc1Nc1nc(-c2ccc(CN3CC[C@@H](F)C3)cc2)cs1.

What is the InChIKey of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

The InChIKey is NONKLQDZNQACJD-DCIUFERCSA-N. The full InChI is InChI=1S/C25H29FN4O2S.C24H29FN4O3S2.C24H27FN4OS.C23H28N4O4S2.C21H21F2N3OS/c1-16(2)32-23-8-7-19(24(27)31)13-21(23)28-25-29-22(15-33-25)18-5-3-17(4-6-18)14-30-11-9-20(26)10-12-30;1-16(2)32-23-8-7-20(34(26,30)31)13-21(23)27-24-28-22(15-33-24)18-5-3-17(4-6-18)14-29-11-9-19(25)10-12-29;1-30-23-9-6-19(25)14-21(23)26-24-27-22(16-31-24)18-4-2-17(3-5-18)15-28-10-12-29(13-11-28)20-7-8-20;1-16(2)31-22-8-7-19(33(24,28)29)13-20(22)25-23-26-21(15-32-23)18-5-3-17(4-6-18)14-27-9-11-30-12-10-27;1-27-20-7-6-16(22)10-18(20)24-21-25-19(13-28-21)15-4-2-14(3-5-15)11-26-9-8-17(23)12-26/h3-8,13,15-16,20H,9-12,14H2,1-2H3,(H2,27,31)(H,28,29);3-8,13,15-16,19H,9-12,14H2,1-2H3,(H,27,28)(H2,26,30,31);2-6,9,14,16,20H,7-8,10-13,15H2,1H3,(H,26,27);3-8,13,15-16H,9-12,14H2,1-2H3,(H,25,26)(H2,24,28,29);2-7,10,13,17H,8-9,11-12H2,1H3,(H,24,25)/t;;;;17-/m....1/s1.

What are the key properties of 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide?

4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 2301.94 g/mol, XLogP of 24.34, 37 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]-N-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-4-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1,3-thiazol-2-amine;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide;3-[[4-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide;3-[[4-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 159839754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).