N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide

C21H24ClN7O4S — CID 89242306

About N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide

N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide (PubChem CID 89242306) has the molecular formula C21H24ClN7O4S and a molecular weight of 505.99 g/mol. Its IUPAC name is N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide.

Molecular Properties

• Compound Name: N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide
• PubChem CID: 89242306
• Molecular Formula: C21H24ClN7O4S
• Molecular Weight: 505.99 g/mol
• Exact Mass: 505.13
• IUPAC Name: N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide
• SMILES: Cc1nc(NC(=O)CCCC(=O)NO)cc(NC2=NCC(C(=O)Nc3c(C)cccc3Cl)S2)n1
• InChI: InChI=1S/C21H24ClN7O4S/c1-11-5-3-6-13(22)19(11)28-20(32)14-10-23-21(34-14)27-16-9-15(24-12(2)25-16)26-17(30)7-4-8-18(31)29-33/h3,5-6,9,14,33H,4,7-8,10H2,1-2H3,(H,28,32)(H,29,31)(H2,23,24,25,26,27,30)
• InChIKey: NMAJLCSBXVHDPT-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 157.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.99
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

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-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide?

The IUPAC name of N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide (CID 89242306) is N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide.

What is the SMILES notation for N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide?

The canonical SMILES for N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide is Cc1nc(NC(=O)CCCC(=O)NO)cc(NC2=NCC(C(=O)Nc3c(C)cccc3Cl)S2)n1.

What is the InChIKey of N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide?

The InChIKey is NMAJLCSBXVHDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O4S/c1-11-5-3-6-13(22)19(11)28-20(32)14-10-23-21(34-14)27-16-9-15(24-12(2)25-16)26-17(30)7-4-8-18(31)29-33/h3,5-6,9,14,33H,4,7-8,10H2,1-2H3,(H,28,32)(H,29,31)(H2,23,24,25,26,27,30).

What are the key properties of N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide?

N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide has a molecular weight of 505.99 g/mol, XLogP of 2.88, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-4,5-dihydro-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]-N'-hydroxypentanediamide is sourced from PubChem (CID 89242306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).