2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate

C115H127N35O14S6 — CID 162033218

About 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate

2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate (PubChem CID 162033218) has the molecular formula C115H127N35O14S6 and a molecular weight of 2415.91 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate
• PubChem CID: 162033218
• Molecular Formula: C115H127N35O14S6
• Molecular Weight: 2415.91 g/mol
• Exact Mass: 2413.86
• IUPAC Name: 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate
• SMILES: CN(C)CCOC(=O)Nc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=C(CCCN1CCN(CCO)CC1)Nc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=C(CNCCCO)Nc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=C(CNCCO)Nc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=C(Nc1cccc(Nc2nccc(-c3nccs3)n2)c1)OCC1CCCCO1.O=C(Nc1cccc(Nc2nccc(-c3nccs3)n2)c1)OCC1CCCO1
• InChI: InChI=1S/C23H29N7O2S.C20H21N5O3S.C19H19N5O3S.2C18H20N6O2S.C17H18N6O2S/c31-15-14-30-12-10-29(11-13-30)9-2-5-21(32)26-18-3-1-4-19(17-18)27-23-25-7-6-20(28-23)22-24-8-16-33-22;26-20(28-13-16-6-1-2-10-27-16)24-15-5-3-4-14(12-15)23-19-22-8-7-17(25-19)18-21-9-11-29-18;25-19(27-12-15-5-2-9-26-15)23-14-4-1-3-13(11-14)22-18-21-7-6-16(24-18)17-20-8-10-28-17;1-24(2)9-10-26-18(25)22-14-5-3-4-13(12-14)21-17-20-7-6-15(23-17)16-19-8-11-27-16;25-9-2-6-19-12-16(26)22-13-3-1-4-14(11-13)23-18-21-7-5-15(24-18)17-20-8-10-27-17;24-8-6-18-11-15(25)21-12-2-1-3-13(10-12)22-17-20-5-4-14(23-17)16-19-7-9-26-16/h1,3-4,6-8,16-17,31H,2,5,9-15H2,(H,26,32)(H,25,27,28);3-5,7-9,11-12,16H,1-2,6,10,13H2,(H,24,26)(H,22,23,25);1,3-4,6-8,10-11,15H,2,5,9,12H2,(H,23,25)(H,21,22,24);3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,20,21,23);1,3-5,7-8,10-11,19,25H,2,6,9,12H2,(H,22,26)(H,21,23,24);1-5,7,9-10,18,24H,6,8,11H2,(H,21,25)(H,20,22,23)
• InChIKey: YWHPEJGMFZHQSY-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 619.42 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 49
• Rotatable Bonds: 46
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.91
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate?

The IUPAC name of 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate (CID 162033218) is 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate.

What is the SMILES notation for 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate?

The canonical SMILES for 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate is CN(C)CCOC(=O)Nc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=C(CCCN1CCN(CCO)CC1)Nc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=C(CNCCCO)Nc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=C(CNCCO)Nc1cccc(Nc2nccc(-c3nccs3)n2)c1.O=C(Nc1cccc(Nc2nccc(-c3nccs3)n2)c1)OCC1CCCCO1.O=C(Nc1cccc(Nc2nccc(-c3nccs3)n2)c1)OCC1CCCO1.

What is the InChIKey of 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate?

The InChIKey is YWHPEJGMFZHQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2S.C20H21N5O3S.C19H19N5O3S.2C18H20N6O2S.C17H18N6O2S/c31-15-14-30-12-10-29(11-13-30)9-2-5-21(32)26-18-3-1-4-19(17-18)27-23-25-7-6-20(28-23)22-24-8-16-33-22;26-20(28-13-16-6-1-2-10-27-16)24-15-5-3-4-14(12-15)23-19-22-8-7-17(25-19)18-21-9-11-29-18;25-19(27-12-15-5-2-9-26-15)23-14-4-1-3-13(11-14)22-18-21-7-6-16(24-18)17-20-8-10-28-17;1-24(2)9-10-26-18(25)22-14-5-3-4-13(12-14)21-17-20-7-6-15(23-17)16-19-8-11-27-16;25-9-2-6-19-12-16(26)22-13-3-1-4-14(11-13)23-18-21-7-5-15(24-18)17-20-8-10-27-17;24-8-6-18-11-15(25)21-12-2-1-3-13(10-12)22-17-20-5-4-14(23-17)16-19-7-9-26-16/h1,3-4,6-8,16-17,31H,2,5,9-15H2,(H,26,32)(H,25,27,28);3-5,7-9,11-12,16H,1-2,6,10,13H2,(H,24,26)(H,22,23,25);1,3-4,6-8,10-11,15H,2,5,9,12H2,(H,23,25)(H,21,22,24);3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,20,21,23);1,3-5,7-8,10-11,19,25H,2,6,9,12H2,(H,22,26)(H,21,23,24);1-5,7,9-10,18,24H,6,8,11H2,(H,21,25)(H,20,22,23).

What are the key properties of 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate?

2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate has a molecular weight of 2415.91 g/mol, XLogP of 18.78, 46 rotatable bonds, 17 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;2-(2-hydroxyethylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide;2-(3-hydroxypropylamino)-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]acetamide;oxan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate;oxolan-2-ylmethyl N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]carbamate is sourced from PubChem (CID 162033218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).