N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine

C94H113ClN20O16S4 — CID 167616693

About N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine

N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine (PubChem CID 167616693) has the molecular formula C94H113ClN20O16S4 and a molecular weight of 1942.78 g/mol. Its IUPAC name is N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine
• PubChem CID: 167616693
• Molecular Formula: C94H113ClN20O16S4
• Molecular Weight: 1942.78 g/mol
• Exact Mass: 1940.72
• IUPAC Name: N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine
• SMILES: C=CC(=O)N1CCOC[C@H]1C(=O)NCCOc1cc(Nc2ncc(-c3ccccc3)s2)nc(C)n1.CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)O.Cc1nc(Cl)cc(OCCCC(=O)OC(C)(C)C)n1.Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(OCCCC(=O)OC(C)(C)C)n1.Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(OCCN)n1.Nc1ncc(-c2ccccc2)s1
• InChI: InChI=1S/C24H26N6O4S.C22H26N4O3S.C16H17N5OS.C13H19ClN2O3.C10H17NO5.C9H8N2S/c1-3-22(31)30-10-12-33-15-18(30)23(32)25-9-11-34-21-13-20(27-16(2)28-21)29-24-26-14-19(35-24)17-7-5-4-6-8-17;1-15-24-18(26-21-23-14-17(30-21)16-9-6-5-7-10-16)13-19(25-15)28-12-8-11-20(27)29-22(2,3)4;1-11-19-14(9-15(20-11)22-8-7-17)21-16-18-10-13(23-16)12-5-3-2-4-6-12;1-9-15-10(14)8-11(16-9)18-7-5-6-12(17)19-13(2,3)4;1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13;10-9-11-6-8(12-9)7-4-2-1-3-5-7/h3-8,13-14,18H,1,9-12,15H2,2H3,(H,25,32)(H,26,27,28,29);5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,23,24,25,26);2-6,9-10H,7-8,17H2,1H3,(H,18,19,20,21);8H,5-7H2,1-4H3;7H,4-6H2,1-3H3,(H,12,13);1-6H,(H2,10,11)/t18-;;;;7-;/m0...0./s1
• InChIKey: LVPJFDLBICSONQ-XXNMYLKHSA-N
• XLogP: 16.74
• TPSA: 467.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1942.78
LogP ≤ 5	16.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine?

The IUPAC name of N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine (CID 167616693) is N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine is C=CC(=O)N1CCOC[C@H]1C(=O)NCCOc1cc(Nc2ncc(-c3ccccc3)s2)nc(C)n1.CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)O.Cc1nc(Cl)cc(OCCCC(=O)OC(C)(C)C)n1.Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(OCCCC(=O)OC(C)(C)C)n1.Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(OCCN)n1.Nc1ncc(-c2ccccc2)s1.

What is the InChIKey of N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine?

The InChIKey is LVPJFDLBICSONQ-XXNMYLKHSA-N. The full InChI is InChI=1S/C24H26N6O4S.C22H26N4O3S.C16H17N5OS.C13H19ClN2O3.C10H17NO5.C9H8N2S/c1-3-22(31)30-10-12-33-15-18(30)23(32)25-9-11-34-21-13-20(27-16(2)28-21)29-24-26-14-19(35-24)17-7-5-4-6-8-17;1-15-24-18(26-21-23-14-17(30-21)16-9-6-5-7-10-16)13-19(25-15)28-12-8-11-20(27)29-22(2,3)4;1-11-19-14(9-15(20-11)22-8-7-17)21-16-18-10-13(23-16)12-5-3-2-4-6-12;1-9-15-10(14)8-11(16-9)18-7-5-6-12(17)19-13(2,3)4;1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13;10-9-11-6-8(12-9)7-4-2-1-3-5-7/h3-8,13-14,18H,1,9-12,15H2,2H3,(H,25,32)(H,26,27,28,29);5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,23,24,25,26);2-6,9-10H,7-8,17H2,1H3,(H,18,19,20,21);8H,5-7H2,1-4H3;7H,4-6H2,1-3H3,(H,12,13);1-6H,(H2,10,11)/t18-;;;;7-;/m0...0./s1.

What are the key properties of N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine?

N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine has a molecular weight of 1942.78 g/mol, XLogP of 16.74, 30 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl 4-(6-chloro-2-methylpyrimidin-4-yl)oxybutanoate;tert-butyl 4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxybutanoate;(3S)-N-[2-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]oxyethyl]-4-prop-2-enoylmorpholine-3-carboxamide;(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid;5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 167616693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).