5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide

C86H101N25O4S4 — CID 158526358

IUPAC5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(N4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(N4CCNCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(NC4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(NCC4CCCCC4)s3)n2)c1
InChIInChI=1S/C23H28N6OS.C22H26N6OS.C21H24N6OS.C20H23N7OS/c1-14-10-15(2)12-17(11-14)27-23-25-9-8-18(28-23)21-29-19(20(24)30)22(31-21)26-13-16-6-4-3-5-7-16;1-13-10-14(2)12-16(11-13)26-22-24-9-8-17(27-22)20-28-18(19(23)29)21(30-20)25-15-6-4-3-5-7-15;1-13-10-14(2)12-15(11-13)24-21-23-7-6-16(25-21)19-26-17(18(22)28)20(29-19)27-8-4-3-5-9-27;1-12-9-13(2)11-14(10-12)24-20-23-4-3-15(25-20)18-26-16(17(21)28)19(29-18)27-7-5-22-6-8-27/h8-12,16,26H,3-7,13H2,1-2H3,(H2,24,30)(H,25,27,28);8-12,15,25H,3-7H2,1-2H3,(H2,23,29)(H,24,26,27);6-7,10-12H,3-5,8-9H2,1-2H3,(H2,22,28)(H,23,24,25);3-4,9-11,22H,5-8H2,1-2H3,(H2,21,28)(H,23,24,25)
InChIKeyHMVGWHMBMXWOCM-UHFFFAOYSA-N
MW1677.19 g/mol
LogP16.37
Rot. Bonds23

About 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide

5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 158526358) has the molecular formula C86H101N25O4S4 and a molecular weight of 1677.19 g/mol. Its IUPAC name is 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID158526358
Molecular FormulaC86H101N25O4S4
Molecular Weight1677.19 g/mol
Exact Mass1675.74
IUPAC Name5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(N4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(N4CCNCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(NC4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(NCC4CCCCC4)s3)n2)c1
InChIInChI=1S/C23H28N6OS.C22H26N6OS.C21H24N6OS.C20H23N7OS/c1-14-10-15(2)12-17(11-14)27-23-25-9-8-18(28-23)21-29-19(20(24)30)22(31-21)26-13-16-6-4-3-5-7-16;1-13-10-14(2)12-16(11-13)26-22-24-9-8-17(27-22)20-28-18(19(23)29)21(30-20)25-15-6-4-3-5-7-15;1-13-10-14(2)12-15(11-13)24-21-23-7-6-16(25-21)19-26-17(18(22)28)20(29-19)27-8-4-3-5-9-27;1-12-9-13(2)11-14(10-12)24-20-23-4-3-15(25-20)18-26-16(17(21)28)19(29-18)27-7-5-22-6-8-27/h8-12,16,26H,3-7,13H2,1-2H3,(H2,24,30)(H,25,27,28);8-12,15,25H,3-7H2,1-2H3,(H2,23,29)(H,24,26,27);6-7,10-12H,3-5,8-9H2,1-2H3,(H2,22,28)(H,23,24,25);3-4,9-11,22H,5-8H2,1-2H3,(H2,21,28)(H,23,24,25)
InChIKeyHMVGWHMBMXWOCM-UHFFFAOYSA-N
XLogP16.37
TPSA417.73 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms119
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001677.19
LogP ≤ 516.37
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide (CID 158526358) is 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide is Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(N4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(N4CCNCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(NC4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C(N)=O)c(NCC4CCCCC4)s3)n2)c1.
What is the InChIKey of 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HMVGWHMBMXWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS.C22H26N6OS.C21H24N6OS.C20H23N7OS/c1-14-10-15(2)12-17(11-14)27-23-25-9-8-18(28-23)21-29-19(20(24)30)22(31-21)26-13-16-6-4-3-5-7-16;1-13-10-14(2)12-16(11-13)26-22-24-9-8-17(27-22)20-28-18(19(23)29)21(30-20)25-15-6-4-3-5-7-15;1-13-10-14(2)12-15(11-13)24-21-23-7-6-16(25-21)19-26-17(18(22)28)20(29-19)27-8-4-3-5-9-27;1-12-9-13(2)11-14(10-12)24-20-23-4-3-15(25-20)18-26-16(17(21)28)19(29-18)27-7-5-22-6-8-27/h8-12,16,26H,3-7,13H2,1-2H3,(H2,24,30)(H,25,27,28);8-12,15,25H,3-7H2,1-2H3,(H2,23,29)(H,24,26,27);6-7,10-12H,3-5,8-9H2,1-2H3,(H2,22,28)(H,23,24,25);3-4,9-11,22H,5-8H2,1-2H3,(H2,21,28)(H,23,24,25).
What are the key properties of 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide?
5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 1677.19 g/mol, XLogP of 16.37, 23 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;5-(cyclohexylmethylamino)-2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperazin-1-yl-1,3-thiazole-4-carboxamide;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-piperidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158526358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).