methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate

C59H61F3N16O15S9 — CID 90877731

About methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate

methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate (PubChem CID 90877731) has the molecular formula C59H61F3N16O15S9 and a molecular weight of 1579.83 g/mol. Its IUPAC name is methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate
• PubChem CID: 90877731
• Molecular Formula: C59H61F3N16O15S9
• Molecular Weight: 1579.83 g/mol
• Exact Mass: 1578.19
• IUPAC Name: methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate
• SMILES: COC(=O)c1sc(C)cc1NC(=O)Nc1ccc(C)s1.COC(=O)c1sc(C)cc1NC(=O)Nc1cccs1.COC(=O)c1sc(C)cc1NC(=O)Nc1ccn(C)n1.COC(=O)c1sc(C)cc1NC(=O)Nc1nnc(C(F)(F)F)s1.COC(=O)c1sc(C)cc1NC(=O)Nc1nnc(C)s1
• InChI: InChI=1S/C13H14N2O3S2.C12H14N4O3S.C12H12N2O3S2.C11H9F3N4O3S2.C11H12N4O3S2/c1-7-4-5-10(19-7)15-13(17)14-9-6-8(2)20-11(9)12(16)18-3;1-7-6-8(10(20-7)11(17)19-3)13-12(18)14-9-4-5-16(2)15-9;1-7-6-8(10(19-7)11(15)17-2)13-12(16)14-9-4-3-5-18-9;1-4-3-5(6(22-4)7(19)21-2)15-9(20)16-10-18-17-8(23-10)11(12,13)14;1-5-4-7(8(19-5)9(16)18-3)12-10(17)13-11-15-14-6(2)20-11/h4-6H,1-3H3,(H2,14,15,17);4-6H,1-3H3,(H2,13,14,15,18);3-6H,1-2H3,(H2,13,14,16);3H,1-2H3,(H2,15,16,18,20);4H,1-3H3,(H2,12,13,15,17)
• InChIKey: ORDHZVZDPOQXER-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 406.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1579.83
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate?

The IUPAC name of methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate (CID 90877731) is methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate.

What is the SMILES notation for methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate?

The canonical SMILES for methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sc(C)cc1NC(=O)Nc1ccc(C)s1.COC(=O)c1sc(C)cc1NC(=O)Nc1cccs1.COC(=O)c1sc(C)cc1NC(=O)Nc1ccn(C)n1.COC(=O)c1sc(C)cc1NC(=O)Nc1nnc(C(F)(F)F)s1.COC(=O)c1sc(C)cc1NC(=O)Nc1nnc(C)s1.

What is the InChIKey of methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate?

The InChIKey is ORDHZVZDPOQXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2.C12H14N4O3S.C12H12N2O3S2.C11H9F3N4O3S2.C11H12N4O3S2/c1-7-4-5-10(19-7)15-13(17)14-9-6-8(2)20-11(9)12(16)18-3;1-7-6-8(10(20-7)11(17)19-3)13-12(18)14-9-4-5-16(2)15-9;1-7-6-8(10(19-7)11(15)17-2)13-12(16)14-9-4-3-5-18-9;1-4-3-5(6(22-4)7(19)21-2)15-9(20)16-10-18-17-8(23-10)11(12,13)14;1-5-4-7(8(19-5)9(16)18-3)12-10(17)13-11-15-14-6(2)20-11/h4-6H,1-3H3,(H2,14,15,17);4-6H,1-3H3,(H2,13,14,15,18);3-6H,1-2H3,(H2,13,14,16);3H,1-2H3,(H2,15,16,18,20);4H,1-3H3,(H2,12,13,15,17).

What are the key properties of methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate?

methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate has a molecular weight of 1579.83 g/mol, XLogP of 15.63, 15 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-methyl-3-[(1-methylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-[(5-methylthiophen-2-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-methyl-3-(thiophen-2-ylcarbamoylamino)thiophene-2-carboxylate;methyl 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 90877731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).