1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate

C136H177N23O25S9 — CID 159078087

About 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate

1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate (PubChem CID 159078087) has the molecular formula C136H177N23O25S9 and a molecular weight of 2822.65 g/mol. Its IUPAC name is 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate.

Molecular Properties

• Compound Name: 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate
• PubChem CID: 159078087
• Molecular Formula: C136H177N23O25S9
• Molecular Weight: 2822.65 g/mol
• Exact Mass: 2820.08
• IUPAC Name: 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate
• SMILES: C.CCOC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.CCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COOC)s1.COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccccc1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C2CC2)s1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C)s1
• InChI: InChI=1S/C19H24N2O3S.C18H23N3O3.C18H22N2O4.C18H22N2O3S.C17H20N2O3S.C16H20N4O3S2.C15H22N4O3S2.C14H20N4O3S2.CH4/c1-6-24-17(22)16-14(11-15(25-16)19(3,4)5)21-18(23)20-13-9-7-12(2)8-10-13;1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5;1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5;1-11-6-8-12(9-7-11)19-17(22)20-15-13(16(21)23-5)10-14(24-15)18(2,3)4;1-17(2,3)13-10-12(15(20)22-4)14(23-13)19-16(21)18-11-8-6-5-7-9-11;1-16(2,3)10-7-9(11(24-10)13(21)23-4)17-14(22)18-15-20-19-12(25-15)8-5-6-8;1-6-12-18-19-14(24-12)17-13(20)16-9-7-11(15(2,3)4)23-10(9)8-22-21-5;1-8-17-18-13(22-8)16-12(19)15-9-6-11(14(2,3)4)23-10(9)7-21-20-5;/h7-11H,6H2,1-5H3,(H2,20,21,23);6-10,21H,1-5H3,(H2,19,20,23);2*6-10H,1-5H3,(H2,19,20,22);5-10H,1-4H3,(H2,18,19,21);7-8H,5-6H2,1-4H3,(H2,17,18,20,22);7H,6,8H2,1-5H3,(H2,16,17,19,20);6H,7H2,1-5H3,(H2,15,16,18,19);1H4
• InChIKey: KAMSQGMUZNOHBZ-UHFFFAOYSA-N
• XLogP: 35.75
• TPSA: 630.03 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2822.65
LogP ≤ 5	35.75
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?

The IUPAC name of 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate (CID 159078087) is 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate.

What is the SMILES notation for 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?

The canonical SMILES for 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate is C.CCOC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.CCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COOC)s1.COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccccc1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C2CC2)s1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C)s1.

What is the InChIKey of 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?

The InChIKey is KAMSQGMUZNOHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S.C18H23N3O3.C18H22N2O4.C18H22N2O3S.C17H20N2O3S.C16H20N4O3S2.C15H22N4O3S2.C14H20N4O3S2.CH4/c1-6-24-17(22)16-14(11-15(25-16)19(3,4)5)21-18(23)20-13-9-7-12(2)8-10-13;1-11-6-8-12(9-7-11)19-17(23)20-13-10-14(18(2,3)4)21-15(13)16(22)24-5;1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5;1-11-6-8-12(9-7-11)19-17(22)20-15-13(16(21)23-5)10-14(24-15)18(2,3)4;1-17(2,3)13-10-12(15(20)22-4)14(23-13)19-16(21)18-11-8-6-5-7-9-11;1-16(2,3)10-7-9(11(24-10)13(21)23-4)17-14(22)18-15-20-19-12(25-15)8-5-6-8;1-6-12-18-19-14(24-12)17-13(20)16-9-7-11(15(2,3)4)23-10(9)8-22-21-5;1-8-17-18-13(22-8)16-12(19)15-9-6-11(14(2,3)4)23-10(9)7-21-20-5;/h7-11H,6H2,1-5H3,(H2,20,21,23);6-10,21H,1-5H3,(H2,19,20,23);2*6-10H,1-5H3,(H2,19,20,22);5-10H,1-4H3,(H2,18,19,21);7-8H,5-6H2,1-4H3,(H2,17,18,20,22);7H,6,8H2,1-5H3,(H2,16,17,19,20);6H,7H2,1-5H3,(H2,15,16,18,19);1H4.

What are the key properties of 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate?

1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate has a molecular weight of 2822.65 g/mol, XLogP of 35.75, 31 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea;ethyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-2-[(4-methylphenyl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 159078087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).