1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea

C102H103FN20O3S5 — CID 159327652

About 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea

1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea (PubChem CID 159327652) has the molecular formula C102H103FN20O3S5 and a molecular weight of 1836.42 g/mol. Its IUPAC name is 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea.

Molecular Properties

• Compound Name: 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea
• PubChem CID: 159327652
• Molecular Formula: C102H103FN20O3S5
• Molecular Weight: 1836.42 g/mol
• Exact Mass: 1834.71
• IUPAC Name: 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea
• SMILES: Cc1ccc(NC(=O)Nc2cccc(-c3sc(C(C)(C)C)nc3-c3ccnc(NCCN(C)C)c3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccnc(N)c3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccnc(N)c3)c2F)cc1.Cc1ccc(NC(=S)Nc2cccc(-c3sc(C(C)(C)C)nc3-c3ccncc3)c2)cc1
• InChI: InChI=1S/C30H36N6OS.C26H26N4S2.C23H20FN5OS.C23H21N5OS/c1-20-10-12-23(13-11-20)33-29(37)34-24-9-7-8-22(18-24)27-26(35-28(38-27)30(2,3)4)21-14-15-31-25(19-21)32-16-17-36(5)6;1-17-8-10-20(11-9-17)28-25(31)29-21-7-5-6-19(16-21)23-22(18-12-14-27-15-13-18)30-24(32-23)26(2,3)4;1-13-6-8-16(9-7-13)28-23(30)29-18-5-3-4-17(20(18)24)22-21(27-14(2)31-22)15-10-11-26-19(25)12-15;1-14-6-8-18(9-7-14)27-23(29)28-19-5-3-4-17(12-19)22-21(26-15(2)30-22)16-10-11-25-20(24)13-16/h7-15,18-19H,16-17H2,1-6H3,(H,31,32)(H2,33,34,37);5-16H,1-4H3,(H2,28,29,31);3-12H,1-2H3,(H2,25,26)(H2,28,29,30);3-13H,1-2H3,(H2,24,25)(H2,27,28,29)
• InChIKey: LEOKENWEGSAJSL-UHFFFAOYSA-N
• XLogP: 25.95
• TPSA: 317.88 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1836.42
LogP ≤ 5	25.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea?

The IUPAC name of 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea (CID 159327652) is 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea.

What is the SMILES notation for 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea?

The canonical SMILES for 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=O)Nc2cccc(-c3sc(C(C)(C)C)nc3-c3ccnc(NCCN(C)C)c3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccnc(N)c3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccnc(N)c3)c2F)cc1.Cc1ccc(NC(=S)Nc2cccc(-c3sc(C(C)(C)C)nc3-c3ccncc3)c2)cc1.

What is the InChIKey of 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea?

The InChIKey is LEOKENWEGSAJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6OS.C26H26N4S2.C23H20FN5OS.C23H21N5OS/c1-20-10-12-23(13-11-20)33-29(37)34-24-9-7-8-22(18-24)27-26(35-28(38-27)30(2,3)4)21-14-15-31-25(19-21)32-16-17-36(5)6;1-17-8-10-20(11-9-17)28-25(31)29-21-7-5-6-19(16-21)23-22(18-12-14-27-15-13-18)30-24(32-23)26(2,3)4;1-13-6-8-16(9-7-13)28-23(30)29-18-5-3-4-17(20(18)24)22-21(27-14(2)31-22)15-10-11-26-19(25)12-15;1-14-6-8-18(9-7-14)27-23(29)28-19-5-3-4-17(12-19)22-21(26-15(2)30-22)16-10-11-25-20(24)13-16/h7-15,18-19H,16-17H2,1-6H3,(H,31,32)(H2,33,34,37);5-16H,1-4H3,(H2,28,29,31);3-12H,1-2H3,(H2,25,26)(H2,28,29,30);3-13H,1-2H3,(H2,24,25)(H2,27,28,29).

What are the key properties of 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea?

1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea has a molecular weight of 1836.42 g/mol, XLogP of 25.95, 20 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[2-tert-butyl-4-[2-[2-(dimethylamino)ethylamino]-4-pyridinyl]-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 159327652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).