About 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea
1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 162026684) has the molecular formula C98H103Cl3FN15O12S12
and a molecular weight of 2193.16 g/mol. Its IUPAC name is 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea.
Frequently Asked Questions
What is the IUPAC name of 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea (CID 162026684) is 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea is CCC(C)(C)CC(=O)Cc1nc(-c2cccs2)cs1.CCC(C)(C)NC(=O)Nc1nc(-c2cccs2)cs1.CCOc1nc(-c2cccs2)cs1.Cc1cc2c(s1)C(O)=C(C(=O)Nc1nc(-c3ccc(-c4ccc(F)cc4)o3)cs1)N(C)C2.O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1.O=C(O)COc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is YVLWLROKMZCIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34Cl2N6O3S2.C23H18FN3O3S2.C15H19NOS2.C13H17N3OS2.C9H6ClNO3S2.C9H9NOS2/c30-20-15-23(41-17-20)24-27(37-12-10-35(11-13-37)21-4-2-1-3-5-21)42-29(33-24)34-26(38)19-14-22(31)25(32-16-19)36-8-6-18(7-9-36)28(39)40;1-12-9-14-10-27(2)19(20(28)21(14)32-12)22(29)26-23-25-16(11-31-23)18-8-7-17(30-18)13-3-5-15(24)6-4-13;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;10-7-2-1-6(16-7)5-4-15-9(11-5)14-3-8(12)13;1-2-11-9-10-7(6-13-9)8-4-3-5-12-8/h14-18,21H,1-13H2,(H,39,40)(H,33,34,38);3-9,11,28H,10H2,1-2H3,(H,25,26,29);5-7,10H,4,8-9H2,1-3H3;5-8H,4H2,1-3H3,(H2,14,15,16,17);1-2,4H,3H2,(H,12,13);3-6H,2H2,1H3.
What are the key properties of 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea?
1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 2193.16 g/mol, XLogP of 27.72, 28 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]oxy]acetic acid;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;N-[4-[5-(4-fluorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-7-hydroxy-2,5-dimethyl-4H-thieno[3,2-c]pyridine-6-carboxamide;1-(2-methylbutan-2-yl)-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 162026684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).