N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate

C59H66Cl4N20O10S3 — CID 158316440

About N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate

N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate (PubChem CID 158316440) has the molecular formula C59H66Cl4N20O10S3 and a molecular weight of 1453.32 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate
• PubChem CID: 158316440
• Molecular Formula: C59H66Cl4N20O10S3
• Molecular Weight: 1453.32 g/mol
• Exact Mass: 1450.32
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate
• SMILES: COC(=O)CCN.COC(=O)CCNc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(C)n1.Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1.Cc1nc(NCCC(=O)NO)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1.NO
• InChI: InChI=1S/C20H21ClN6O3S.C19H20ClN7O3S.C16H13Cl2N5OS.C4H9NO2.H3NO/c1-11-5-4-6-13(21)18(11)27-19(29)14-10-23-20(31-14)26-16-9-15(24-12(2)25-16)22-8-7-17(28)30-3;1-10-4-3-5-12(20)17(10)26-18(29)13-9-22-19(31-13)25-15-8-14(23-11(2)24-15)21-7-6-16(28)27-30;1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13;1-7-4(6)2-3-5;1-2/h4-6,9-10H,7-8H2,1-3H3,(H,27,29)(H2,22,23,24,25,26);3-5,8-9,30H,6-7H2,1-2H3,(H,26,29)(H,27,28)(H2,21,22,23,24,25);3-7H,1-2H3,(H,23,24)(H,19,20,21,22);2-3,5H2,1H3;2H,1H2
• InChIKey: GOHWMVSKLCJURT-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 437.66 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1453.32
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate (CID 158316440) is N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate is COC(=O)CCN.COC(=O)CCNc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(C)n1.Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1.Cc1nc(NCCC(=O)NO)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1.NO.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate?

The InChIKey is GOHWMVSKLCJURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O3S.C19H20ClN7O3S.C16H13Cl2N5OS.C4H9NO2.H3NO/c1-11-5-4-6-13(21)18(11)27-19(29)14-10-23-20(31-14)26-16-9-15(24-12(2)25-16)22-8-7-17(28)30-3;1-10-4-3-5-12(20)17(10)26-18(29)13-9-22-19(31-13)25-15-8-14(23-11(2)24-15)21-7-6-16(28)27-30;1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13;1-7-4(6)2-3-5;1-2/h4-6,9-10H,7-8H2,1-3H3,(H,27,29)(H2,22,23,24,25,26);3-5,8-9,30H,6-7H2,1-2H3,(H,26,29)(H,27,28)(H2,21,22,23,24,25);3-7H,1-2H3,(H,23,24)(H,19,20,21,22);2-3,5H2,1H3;2H,1H2.

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate?

N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate has a molecular weight of 1453.32 g/mol, XLogP of 11.38, 22 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide;N-(2-chloro-6-methylphenyl)-2-[[6-[[3-(hydroxyamino)-3-oxopropyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;hydroxylamine;methyl 3-aminopropanoate;methyl 3-[[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 158316440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).