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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate

C132H182N26O24S12 — CID 159958711

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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate
SMILESCCCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COOC)s1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)NCCc1cccn1C.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccn(C(C)C)c1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C2CC2)s1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)cs1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C)s1
InChIInChI=1S/3C18H25N3O3S.C17H23N3O3S.C16H20N4O3S2.C16H22N2O3S2.C15H22N4O3S2.C14H20N4O3S2/c1-11(2)21-8-7-12(10-21)19-17(23)20-13-9-14(18(3,4)5)25-15(13)16(22)24-6;1-18(2,3)14-11-13(15(25-14)16(22)24-5)20-17(23)19-9-8-12-7-6-10-21(12)4;1-6-8-21-9-7-12(11-21)19-17(23)20-13-10-14(18(2,3)4)25-15(13)16(22)24-5;1-6-20-8-7-11(10-20)18-16(22)19-12-9-13(17(2,3)4)24-14(12)15(21)23-5;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;1-6-12-18-19-14(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,1-6H3,(H2,19,20,23);6-7,10-11H,8-9H2,1-5H3,(H2,19,20,23);7,9-11H,6,8H2,1-5H3,(H2,19,20,23);7-10H,6H2,1-5H3,(H2,18,19,22);7-8H,5-6H2,1-4H3,(H2,17,18,20,22);6-7,9H,8H2,1-5H3,(H2,17,18,19);7H,6,8H2,1-5H3,(H2,16,17,19,20);6H,7H2,1-5H3,(H2,15,16,18,19)
InChIKeyODAUZINKQDJTRI-UHFFFAOYSA-N
MW2901.87 g/mol
LogP34.83
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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 159958711) has the molecular formula C132H182N26O24S12 and a molecular weight of 2901.87 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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate
PubChem CID159958711
Molecular FormulaC132H182N26O24S12
Molecular Weight2901.87 g/mol
Exact Mass2899.05
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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate
SMILESCCCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COOC)s1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)NCCc1cccn1C.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccn(C(C)C)c1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C2CC2)s1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)cs1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C)s1
InChIInChI=1S/3C18H25N3O3S.C17H23N3O3S.C16H20N4O3S2.C16H22N2O3S2.C15H22N4O3S2.C14H20N4O3S2/c1-11(2)21-8-7-12(10-21)19-17(23)20-13-9-14(18(3,4)5)25-15(13)16(22)24-6;1-18(2,3)14-11-13(15(25-14)16(22)24-5)20-17(23)19-9-8-12-7-6-10-21(12)4;1-6-8-21-9-7-12(11-21)19-17(23)20-13-10-14(18(2,3)4)25-15(13)16(22)24-5;1-6-20-8-7-11(10-20)18-16(22)19-12-9-13(17(2,3)4)24-14(12)15(21)23-5;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;1-6-12-18-19-14(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,1-6H3,(H2,19,20,23);6-7,10-11H,8-9H2,1-5H3,(H2,19,20,23);7,9-11H,6,8H2,1-5H3,(H2,19,20,23);7-10H,6H2,1-5H3,(H2,18,19,22);7-8H,5-6H2,1-4H3,(H2,17,18,20,22);6-7,9H,8H2,1-5H3,(H2,17,18,19);7H,6,8H2,1-5H3,(H2,16,17,19,20);6H,7H2,1-5H3,(H2,15,16,18,19)
InChIKeyODAUZINKQDJTRI-UHFFFAOYSA-N
XLogP34.83
TPSA612.98 Ų
H-Bond Donors16
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002901.87
LogP ≤ 534.83
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1046

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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate (CID 159958711) 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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate is CCCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COOC)s1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)NCCc1cccn1C.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccn(C(C)C)c1.COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C2CC2)s1.COOCc1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)cs1.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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is ODAUZINKQDJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H25N3O3S.C17H23N3O3S.C16H20N4O3S2.C16H22N2O3S2.C15H22N4O3S2.C14H20N4O3S2/c1-11(2)21-8-7-12(10-21)19-17(23)20-13-9-14(18(3,4)5)25-15(13)16(22)24-6;1-18(2,3)14-11-13(15(25-14)16(22)24-5)20-17(23)19-9-8-12-7-6-10-21(12)4;1-6-8-21-9-7-12(11-21)19-17(23)20-13-10-14(18(2,3)4)25-15(13)16(22)24-5;1-6-20-8-7-11(10-20)18-16(22)19-12-9-13(17(2,3)4)24-14(12)15(21)23-5;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;1-6-12-18-19-14(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,1-6H3,(H2,19,20,23);6-7,10-11H,8-9H2,1-5H3,(H2,19,20,23);7,9-11H,6,8H2,1-5H3,(H2,19,20,23);7-10H,6H2,1-5H3,(H2,18,19,22);7-8H,5-6H2,1-4H3,(H2,17,18,20,22);6-7,9H,8H2,1-5H3,(H2,17,18,19);7H,6,8H2,1-5H3,(H2,16,17,19,20);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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 2901.87 g/mol, XLogP of 34.83, 38 rotatable bonds, 16 hydrogen bond donors, and 46 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-(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-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[2-(1-methylpyrrol-2-yl)ethylcarbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-propylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 159958711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).