[5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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

C152H198Cl2N26O29S9 — CID 158498769

IUPAC[5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)n1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)c(Cl)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.Cc1csc(NC(=O)Nc2cc(C(C)(C)C)sc2COC=O)c1.Cc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COC=O)s1
InChIInChI=1S/3C18H25N3O3S.C18H22N2O4.C17H18Cl2N2O4.C17H23N3O3S.C16H22N4O3S.C16H20N2O3S2.C14H18N4O3S2/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;1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5;1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-9-5-6-10(18)11(19)7-9;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;1-6-20-8-7-12(19-20)18-15(22)17-10-9-11(16(2,3)4)24-13(10)14(21)23-5;1-10-5-14(22-8-10)18-15(20)17-11-6-13(16(2,3)4)23-12(11)7-21-9-19;1-8-17-18-13(22-8)16-12(20)15-9-5-11(14(2,3)4)23-10(9)6-21-7-19/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);6-10H,1-5H3,(H2,19,20,22);5-8H,1-4H3,(H2,20,21,23);7-10H,6H2,1-5H3,(H2,18,19,22);7-9H,6H2,1-5H3,(H2,17,18,19,22);5-6,8-9H,7H2,1-4H3,(H2,17,18,20);5,7H,6H2,1-4H3,(H2,15,16,18,20)
InChIKeyHJPXCYGPIYNWRW-UHFFFAOYSA-N
MW3212.92 g/mol
LogP38.96
Rot. Bonds38

About [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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

[5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 158498769) has the molecular formula C152H198Cl2N26O29S9 and a molecular weight of 3212.92 g/mol. Its IUPAC name is [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 Name[5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 CID158498769
Molecular FormulaC152H198Cl2N26O29S9
Molecular Weight3212.92 g/mol
Exact Mass3209.17
IUPAC Name[5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)n1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)c(Cl)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.Cc1csc(NC(=O)Nc2cc(C(C)(C)C)sc2COC=O)c1.Cc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COC=O)s1
InChIInChI=1S/3C18H25N3O3S.C18H22N2O4.C17H18Cl2N2O4.C17H23N3O3S.C16H22N4O3S.C16H20N2O3S2.C14H18N4O3S2/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;1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5;1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-9-5-6-10(18)11(19)7-9;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;1-6-20-8-7-12(19-20)18-15(22)17-10-9-11(16(2,3)4)24-13(10)14(21)23-5;1-10-5-14(22-8-10)18-15(20)17-11-6-13(16(2,3)4)23-12(11)7-21-9-19;1-8-17-18-13(22-8)16-12(20)15-9-5-11(14(2,3)4)23-10(9)6-21-7-19/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);6-10H,1-5H3,(H2,19,20,22);5-8H,1-4H3,(H2,20,21,23);7-10H,6H2,1-5H3,(H2,18,19,22);7-9H,6H2,1-5H3,(H2,17,18,19,22);5-6,8-9H,7H2,1-4H3,(H2,17,18,20);5,7H,6H2,1-4H3,(H2,15,16,18,20)
InChIKeyHJPXCYGPIYNWRW-UHFFFAOYSA-N
XLogP38.96
TPSA696.47 Ų
H-Bond Donors18
H-Bond Acceptors46
Rotatable Bonds38
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003212.92
LogP ≤ 538.96
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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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Related Compounds

[5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-5-methylthiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate
CID 158322770
[5-tert-butyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate;methyl 5-tert-butyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate
CID 158890247
Methane;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 2-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylate;methyl 2-[(5-methylthiophen-2-yl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylate
CID 157117816
Methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 157505591
[5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-ethyl-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methane;methyl 5-tert-butyl-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]-1H-pyrrole-2-carboxylate
CID 157698242
methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-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;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 157767565
methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-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-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate
CID 158852549
Methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 2-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylate;methyl 2-[(5-methylthiophen-2-yl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylate
CID 159415871
bis(N'-(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)-N-(1H-pyrrol-3-yl)carbamimidate);1-[5-tert-butyl-2-(methylperoxymethyl)thiophen-3-yl]-3-(4-methylthiophen-2-yl)urea;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-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;propane
CID 159552204
Methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 2-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylate;methyl 2-[(5-methylthiophen-2-yl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylate
CID 160029451
methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-1-methyl-3-[(4-methylphenyl)carbamoylamino]pyrrole-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 160852580
[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-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-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 161893433

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 158498769) is [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1.CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)n1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1.COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)c(Cl)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.Cc1csc(NC(=O)Nc2cc(C(C)(C)C)sc2COC=O)c1.Cc1nnc(NC(=O)Nc2cc(C(C)(C)C)sc2COC=O)s1.
What is the InChIKey of [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 HJPXCYGPIYNWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H25N3O3S.C18H22N2O4.C17H18Cl2N2O4.C17H23N3O3S.C16H22N4O3S.C16H20N2O3S2.C14H18N4O3S2/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;1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5;1-17(2,3)13-8-12(14(25-13)15(22)24-4)21-16(23)20-9-5-6-10(18)11(19)7-9;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;1-6-20-8-7-12(19-20)18-15(22)17-10-9-11(16(2,3)4)24-13(10)14(21)23-5;1-10-5-14(22-8-10)18-15(20)17-11-6-13(16(2,3)4)23-12(11)7-21-9-19;1-8-17-18-13(22-8)16-12(20)15-9-5-11(14(2,3)4)23-10(9)6-21-7-19/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);6-10H,1-5H3,(H2,19,20,22);5-8H,1-4H3,(H2,20,21,23);7-10H,6H2,1-5H3,(H2,18,19,22);7-9H,6H2,1-5H3,(H2,17,18,19,22);5-6,8-9H,7H2,1-4H3,(H2,17,18,20);5,7H,6H2,1-4H3,(H2,15,16,18,20).
What are the key properties of [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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?
[5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 3212.92 g/mol, XLogP of 38.96, 38 rotatable bonds, 18 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;[5-tert-butyl-3-[(4-methylthiophen-2-yl)carbamoylamino]thiophen-2-yl]methyl formate;methyl 5-tert-butyl-3-[(3,4-dichlorophenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(1-ethylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-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 158498769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).