5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea

C97H104Cl4FN15O8S12 — CID 162261578

About 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea

5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 162261578) has the molecular formula C97H104Cl4FN15O8S12 and a molecular weight of 2153.61 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea
• PubChem CID: 162261578
• Molecular Formula: C97H104Cl4FN15O8S12
• Molecular Weight: 2153.61 g/mol
• Exact Mass: 2149.36
• IUPAC Name: 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea
• SMILES: CC1CCN(c2ncc(C(=O)Nc3nc(-c4cc(Cl)cs4)c(N4CCN(C5CCCCC5)CC4)s3)cc2Cl)CC1.CCC(C)(C)CC(=O)Cc1nc(-c2cccs2)cs1.CCC(C)(C)NC(=O)Nc1nc(-c2cccs2)cs1.CCOc1nc(-c2ccc(Cl)s2)cs1.CCOc1nc(-c2cccs2)cs1.CN1Cc2cc(Cl)sc2C(O)=C1C(=O)Nc1nc(-c2ccc(-c3ccc(F)cc3)o2)cs1
• InChI: InChI=1S/C29H36Cl2N6OS2.C22H15ClFN3O3S2.C15H19NOS2.C13H17N3OS2.C9H8ClNOS2.C9H9NOS2/c1-19-7-9-36(10-8-19)26-23(31)15-20(17-32-26)27(38)34-29-33-25(24-16-21(30)18-39-24)28(40-29)37-13-11-35(12-14-37)22-5-3-2-4-6-22;1-27-9-12-8-17(23)32-20(12)19(28)18(27)21(29)26-22-25-14(10-31-22)16-7-6-15(30-16)11-2-4-13(24)5-3-11;1-4-15(2,3)9-11(17)8-14-16-12(10-19-14)13-6-5-7-18-13;1-4-13(2,3)16-11(17)15-12-14-9(8-19-12)10-6-5-7-18-10;1-2-12-9-11-6(5-13-9)7-3-4-8(10)14-7;1-2-11-9-10-7(6-13-9)8-4-3-5-12-8/h15-19,22H,2-14H2,1H3,(H,33,34,38);2-8,10,28H,9H2,1H3,(H,25,26,29);5-7,10H,4,8-9H2,1-3H3;5-8H,4H2,1-3H3,(H2,14,15,16,17);3-5H,2H2,1H3;3-6H,2H2,1H3
• InChIKey: ZZIBVVYESIPLCK-UHFFFAOYSA-N
• XLogP: 29.94
• TPSA: 271.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2153.61
LogP ≤ 5	29.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea?

The IUPAC name of 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea (CID 162261578) is 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea.

What is the SMILES notation for 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea?

The canonical SMILES for 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea is CC1CCN(c2ncc(C(=O)Nc3nc(-c4cc(Cl)cs4)c(N4CCN(C5CCCCC5)CC4)s3)cc2Cl)CC1.CCC(C)(C)CC(=O)Cc1nc(-c2cccs2)cs1.CCC(C)(C)NC(=O)Nc1nc(-c2cccs2)cs1.CCOc1nc(-c2ccc(Cl)s2)cs1.CCOc1nc(-c2cccs2)cs1.CN1Cc2cc(Cl)sc2C(O)=C1C(=O)Nc1nc(-c2ccc(-c3ccc(F)cc3)o2)cs1.

What is the InChIKey of 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea?

The InChIKey is ZZIBVVYESIPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36Cl2N6OS2.C22H15ClFN3O3S2.C15H19NOS2.C13H17N3OS2.C9H8ClNOS2.C9H9NOS2/c1-19-7-9-36(10-8-19)26-23(31)15-20(17-32-26)27(38)34-29-33-25(24-16-21(30)18-39-24)28(40-29)37-13-11-35(12-14-37)22-5-3-2-4-6-22;1-27-9-12-8-17(23)32-20(12)19(28)18(27)21(29)26-22-25-14(10-31-22)16-7-6-15(30-16)11-2-4-13(24)5-3-11;1-4-15(2,3)9-11(17)8-14-16-12(10-19-14)13-6-5-7-18-13;1-4-13(2,3)16-11(17)15-12-14-9(8-19-12)10-6-5-7-18-10;1-2-12-9-11-6(5-13-9)7-3-4-8(10)14-7;1-2-11-9-10-7(6-13-9)8-4-3-5-12-8/h15-19,22H,2-14H2,1H3,(H,33,34,38);2-8,10,28H,9H2,1H3,(H,25,26,29);5-7,10H,4,8-9H2,1-3H3;5-8H,4H2,1-3H3,(H2,14,15,16,17);3-5H,2H2,1H3;3-6H,2H2,1H3.

What are the key properties of 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea?

5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 2153.61 g/mol, XLogP of 29.94, 26 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;2-chloro-N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-5-methyl-4H-thieno[3,2-c]pyridine-6-carboxamide;4-(5-chlorothiophen-2-yl)-2-ethoxy-1,3-thiazole;4,4-dimethyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)hexan-2-one;2-ethoxy-4-thiophen-2-yl-1,3-thiazole;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 162261578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).