(4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride

C102H136Cl2N20O18S8 — CID 163547959

About (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride

(4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride (PubChem CID 163547959) has the molecular formula C102H136Cl2N20O18S8 and a molecular weight of 2257.77 g/mol. Its IUPAC name is (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride
• PubChem CID: 163547959
• Molecular Formula: C102H136Cl2N20O18S8
• Molecular Weight: 2257.77 g/mol
• Exact Mass: 2254.75
• IUPAC Name: (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride
• SMILES: C.C.C.C.C=CC(=O)Cl.CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C(=O)Oc4ccc(N)cc4)C3)s2)o1.CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C(=O)Oc4ccc([N+](=O)[O-])cc4)C3)s2)o1.CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCNC3)s2)o1.CCC(=O)Nc1ccc(OC(=O)N2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1
• InChI: InChI=1S/C26H33N5O4S2.C23H27N5O5S2.C23H29N5O3S2.C16H24N4OS2.C7H4ClNO4.C3H3ClO.4CH4/c1-5-21(32)29-17-8-10-19(11-9-17)34-25(33)31-12-6-7-18(15-31)30-24-28-14-23(37-24)36-16-22-27-13-20(35-22)26(2,3)4;1-23(2,3)18-11-24-19(33-18)14-34-20-12-25-21(35-20)26-15-5-4-10-27(13-15)22(29)32-17-8-6-16(7-9-17)28(30)31;1-23(2,3)18-11-25-19(31-18)14-32-20-12-26-21(33-20)27-16-5-4-10-28(13-16)22(29)30-17-8-6-15(24)7-9-17;1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-5-4-6-17-7-11;8-7(10)13-6-3-1-5(2-4-6)9(11)12;1-2-3(4)5;;;;/h8-11,13-14,18H,5-7,12,15-16H2,1-4H3,(H,28,30)(H,29,32);6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,25,26);6-9,11-12,16H,4-5,10,13-14,24H2,1-3H3,(H,26,27);8-9,11,17H,4-7,10H2,1-3H3,(H,19,20);1-4H;2H,1H2;4*1H4/t18-;15-;16-;11-;;;;;;/m1111....../s1
• InChIKey: FGQVFZMEWUQIFZ-LBGFIONDSA-N
• XLogP: 26.93
• TPSA: 489.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2257.77
LogP ≤ 5	26.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride?

The IUPAC name of (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride (CID 163547959) is (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride.

What is the SMILES notation for (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride?

The canonical SMILES for (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride is C.C.C.C.C=CC(=O)Cl.CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C(=O)Oc4ccc(N)cc4)C3)s2)o1.CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C(=O)Oc4ccc([N+](=O)[O-])cc4)C3)s2)o1.CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCNC3)s2)o1.CCC(=O)Nc1ccc(OC(=O)N2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.

What is the InChIKey of (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride?

The InChIKey is FGQVFZMEWUQIFZ-LBGFIONDSA-N. The full InChI is InChI=1S/C26H33N5O4S2.C23H27N5O5S2.C23H29N5O3S2.C16H24N4OS2.C7H4ClNO4.C3H3ClO.4CH4/c1-5-21(32)29-17-8-10-19(11-9-17)34-25(33)31-12-6-7-18(15-31)30-24-28-14-23(37-24)36-16-22-27-13-20(35-22)26(2,3)4;1-23(2,3)18-11-24-19(33-18)14-34-20-12-25-21(35-20)26-15-5-4-10-27(13-15)22(29)32-17-8-6-16(7-9-17)28(30)31;1-23(2,3)18-11-25-19(31-18)14-32-20-12-26-21(33-20)27-16-5-4-10-28(13-16)22(29)30-17-8-6-15(24)7-9-17;1-16(2,3)12-8-18-13(21-12)10-22-14-9-19-15(23-14)20-11-5-4-6-17-7-11;8-7(10)13-6-3-1-5(2-4-6)9(11)12;1-2-3(4)5;;;;/h8-11,13-14,18H,5-7,12,15-16H2,1-4H3,(H,28,30)(H,29,32);6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,25,26);6-9,11-12,16H,4-5,10,13-14,24H2,1-3H3,(H,26,27);8-9,11,17H,4-7,10H2,1-3H3,(H,19,20);1-4H;2H,1H2;4*1H4/t18-;15-;16-;11-;;;;;;/m1111....../s1.

What are the key properties of (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride?

(4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride has a molecular weight of 2257.77 g/mol, XLogP of 26.93, 29 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine;methane;(4-nitrophenyl) (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;(4-nitrophenyl) carbonochloridate;[4-(propanoylamino)phenyl] (3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate;prop-2-enoyl chloride is sourced from PubChem (CID 163547959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).