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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate

C145H189N25O28S14 — CID 157429176

IUPAC1-[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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate
SMILESCCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COOC)s1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)s1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C2CC2)s1.COC(=O)c1sc(C(C)C)cc1NC(=O)Nc1ccc(C)cc1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)cs1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1ncc(C)s1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C)s1
InChIInChI=1S/C18H22N2O4.C18H22N2O3S.C17H20N2O3S.C16H20N4O3S2.C16H22N2O3S2.C16H20N2O3S2.C15H22N4O3S2.C15H21N3O3S2.C14H20N4O3S2/c2*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;1-10(2)14-9-13(15(23-14)16(20)22-4)19-17(21)18-12-7-5-11(3)6-8-12;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;1-10-6-14(22-9-10)18-15(19)17-11-7-13(16(2,3)4)23-12(11)8-21-20-5;1-9-6-7-12(22-9)18-15(20)17-10-8-11(16(2,3)4)23-13(10)14(19)21-5;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;1-9-7-16-14(22-9)18-13(19)17-10-6-12(15(2,3)4)23-11(10)8-21-20-5;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/h2*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);6-7,9H,8H2,1-5H3,(H2,17,18,19);6-8H,1-5H3,(H2,17,18,20);7H,6,8H2,1-5H3,(H2,16,17,19,20);6-7H,8H2,1-5H3,(H2,16,17,18,19);6H,7H2,1-5H3,(H2,15,16,18,19)
InChIKeyBQICBFIDYAPFFB-UHFFFAOYSA-N
MW3179.19 g/mol
LogP40.54
Rot. Bonds38

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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate (PubChem CID 157429176) has the molecular formula C145H189N25O28S14 and a molecular weight of 3179.19 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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Name1-[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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate
PubChem CID157429176
Molecular FormulaC145H189N25O28S14
Molecular Weight3179.19 g/mol
Exact Mass3176.02
IUPAC Name1-[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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate
SMILESCCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COOC)s1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)s1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C2CC2)s1.COC(=O)c1sc(C(C)C)cc1NC(=O)Nc1ccc(C)cc1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)cs1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1ncc(C)s1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C)s1
InChIInChI=1S/C18H22N2O4.C18H22N2O3S.C17H20N2O3S.C16H20N4O3S2.C16H22N2O3S2.C16H20N2O3S2.C15H22N4O3S2.C15H21N3O3S2.C14H20N4O3S2/c2*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;1-10(2)14-9-13(15(23-14)16(20)22-4)19-17(21)18-12-7-5-11(3)6-8-12;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;1-10-6-14(22-9-10)18-15(19)17-11-7-13(16(2,3)4)23-12(11)8-21-20-5;1-9-6-7-12(22-9)18-15(20)17-10-8-11(16(2,3)4)23-13(10)14(19)21-5;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;1-9-7-16-14(22-9)18-13(19)17-10-6-12(15(2,3)4)23-11(10)8-21-20-5;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/h2*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);6-7,9H,8H2,1-5H3,(H2,17,18,19);6-8H,1-5H3,(H2,17,18,20);7H,6,8H2,1-5H3,(H2,16,17,19,20);6-7H,8H2,1-5H3,(H2,16,17,18,19);6H,7H2,1-5H3,(H2,15,16,18,19)
InChIKeyBQICBFIDYAPFFB-UHFFFAOYSA-N
XLogP40.54
TPSA678.88 Ų
H-Bond Donors18
H-Bond Acceptors49
Rotatable Bonds38
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003179.19
LogP ≤ 540.54
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1049

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'}

Analyze 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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate with MolForge

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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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate (CID 157429176) 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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate is CCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COOC)s1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)s1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C2CC2)s1.COC(=O)c1sc(C(C)C)cc1NC(=O)Nc1ccc(C)cc1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)cs1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1ncc(C)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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate?
The InChIKey is BQICBFIDYAPFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.C18H22N2O3S.C17H20N2O3S.C16H20N4O3S2.C16H22N2O3S2.C16H20N2O3S2.C15H22N4O3S2.C15H21N3O3S2.C14H20N4O3S2/c2*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;1-10(2)14-9-13(15(23-14)16(20)22-4)19-17(21)18-12-7-5-11(3)6-8-12;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;1-10-6-14(22-9-10)18-15(19)17-11-7-13(16(2,3)4)23-12(11)8-21-20-5;1-9-6-7-12(22-9)18-15(20)17-10-8-11(16(2,3)4)23-13(10)14(19)21-5;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;1-9-7-16-14(22-9)18-13(19)17-10-6-12(15(2,3)4)23-11(10)8-21-20-5;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/h2*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);6-7,9H,8H2,1-5H3,(H2,17,18,19);6-8H,1-5H3,(H2,17,18,20);7H,6,8H2,1-5H3,(H2,16,17,19,20);6-7H,8H2,1-5H3,(H2,16,17,18,19);6H,7H2,1-5H3,(H2,15,16,18,19).
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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate has a molecular weight of 3179.19 g/mol, XLogP of 40.54, 38 rotatable bonds, 18 hydrogen bond donors, and 49 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;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea;1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;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]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 3-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 157429176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).