tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane

C75H61BrCl3N9O13S5 — CID 160531208

About tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane

tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane (PubChem CID 160531208) has the molecular formula C75H61BrCl3N9O13S5 and a molecular weight of 1642.96 g/mol. Its IUPAC name is tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane
• PubChem CID: 160531208
• Molecular Formula: C75H61BrCl3N9O13S5
• Molecular Weight: 1642.96 g/mol
• Exact Mass: 1639.12
• IUPAC Name: tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane
• SMILES: C.Cc1nnsc1C(=O)Nc1csc(-c2ccc(Br)cc2)c1C(=O)OC(C)(C)C.Cn1cnc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)c1.Cn1nc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccccc1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccco1
• InChI: InChI=1S/C22H16ClN3O3S.C19H18BrN3O3S2.C17H11ClO4S.C16H12ClN3O3S.CH4/c1-26-18(13-5-3-2-4-6-13)11-16(25-26)21(27)24-17-12-30-20(19(17)22(28)29)14-7-9-15(23)10-8-14;1-10-15(28-23-22-10)17(24)21-13-9-27-16(11-5-7-12(20)8-6-11)14(13)18(25)26-19(2,3)4;18-12-5-3-10(4-6-12)16-15(17(20)21)11(9-23-16)8-13(19)14-2-1-7-22-14;1-20-6-11(18-8-20)15(21)19-12-7-24-14(13(12)16(22)23)9-2-4-10(17)5-3-9;/h2-12H,1H3,(H,24,27)(H,28,29);5-9H,1-4H3,(H,21,24);1-7,9H,8H2,(H,20,21);2-8H,1H3,(H,19,21)(H,22,23);1H4
• InChIKey: QVOGMICKJJFXIM-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 317.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1642.96
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane?

The IUPAC name of tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane (CID 160531208) is tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane.

What is the SMILES notation for tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane?

The canonical SMILES for tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane is C.Cc1nnsc1C(=O)Nc1csc(-c2ccc(Br)cc2)c1C(=O)OC(C)(C)C.Cn1cnc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)c1.Cn1nc(C(=O)Nc2csc(-c3ccc(Cl)cc3)c2C(=O)O)cc1-c1ccccc1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccco1.

What is the InChIKey of tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane?

The InChIKey is QVOGMICKJJFXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3S.C19H18BrN3O3S2.C17H11ClO4S.C16H12ClN3O3S.CH4/c1-26-18(13-5-3-2-4-6-13)11-16(25-26)21(27)24-17-12-30-20(19(17)22(28)29)14-7-9-15(23)10-8-14;1-10-15(28-23-22-10)17(24)21-13-9-27-16(11-5-7-12(20)8-6-11)14(13)18(25)26-19(2,3)4;18-12-5-3-10(4-6-12)16-15(17(20)21)11(9-23-16)8-13(19)14-2-1-7-22-14;1-20-6-11(18-8-20)15(21)19-12-7-24-14(13(12)16(22)23)9-2-4-10(17)5-3-9;/h2-12H,1H3,(H,24,27)(H,28,29);5-9H,1-4H3,(H,21,24);1-7,9H,8H2,(H,20,21);2-8H,1H3,(H,19,21)(H,22,23);1H4.

What are the key properties of tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane?

tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane has a molecular weight of 1642.96 g/mol, XLogP of 20.14, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(4-bromophenyl)-4-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;methane is sourced from PubChem (CID 160531208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).