5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one

C79H90Cl2N18O11S8 — CID 159538618

About 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one

5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one (PubChem CID 159538618) has the molecular formula C79H90Cl2N18O11S8 and a molecular weight of 1795.15 g/mol. Its IUPAC name is 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

• Compound Name: 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one
• PubChem CID: 159538618
• Molecular Formula: C79H90Cl2N18O11S8
• Molecular Weight: 1795.15 g/mol
• Exact Mass: 1792.42
• IUPAC Name: 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one
• SMILES: CC(=O)Cc1nc(C(=O)Cc2nc(-c3sc(C)nc3C)cs2)cs1.Cc1nc(C)c(-c2csc(CC(=O)C3CC(=O)N(C)C3)n2)s1.Cc1ncc(-c2nc(NC(=O)c3cnc(OCO)c(Cl)c3)sc2N2CCN(C3CCCCC3)CC2)o1.Cc1ncc(-c2nc(NC(=O)c3cnc(OCO)c(Cl)c3)sc2N2CCN(C3CCCCC3)CC2)s1
• InChI: InChI=1S/C24H29ClN6O4S.C24H29ClN6O3S2.C16H15N3O2S3.C15H17N3O2S2/c2*1-15-26-13-19(35-15)20-23(31-9-7-30(8-10-31)17-5-3-2-4-6-17)36-24(28-20)29-21(33)16-11-18(25)22(27-12-16)34-14-32;1-8(20)4-14-18-11(6-22-14)13(21)5-15-19-12(7-23-15)16-9(2)17-10(3)24-16;1-8-15(22-9(2)16-8)11-7-21-13(17-11)5-12(19)10-4-14(20)18(3)6-10/h2*11-13,17,32H,2-10,14H2,1H3,(H,28,29,33);6-7H,4-5H2,1-3H3;7,10H,4-6H2,1-3H3
• InChIKey: MDXIUIAKPBTVDW-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 356.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1795.15
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one?

The IUPAC name of 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one (CID 159538618) is 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one.

What is the SMILES notation for 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one?

The canonical SMILES for 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1nc(C(=O)Cc2nc(-c3sc(C)nc3C)cs2)cs1.Cc1nc(C)c(-c2csc(CC(=O)C3CC(=O)N(C)C3)n2)s1.Cc1ncc(-c2nc(NC(=O)c3cnc(OCO)c(Cl)c3)sc2N2CCN(C3CCCCC3)CC2)o1.Cc1ncc(-c2nc(NC(=O)c3cnc(OCO)c(Cl)c3)sc2N2CCN(C3CCCCC3)CC2)s1.

What is the InChIKey of 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one?

The InChIKey is MDXIUIAKPBTVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O4S.C24H29ClN6O3S2.C16H15N3O2S3.C15H17N3O2S2/c2*1-15-26-13-19(35-15)20-23(31-9-7-30(8-10-31)17-5-3-2-4-6-17)36-24(28-20)29-21(33)16-11-18(25)22(27-12-16)34-14-32;1-8(20)4-14-18-11(6-22-14)13(21)5-15-19-12(7-23-15)16-9(2)17-10(3)24-16;1-8-15(22-9(2)16-8)11-7-21-13(17-11)5-12(19)10-4-14(20)18(3)6-10/h2*11-13,17,32H,2-10,14H2,1H3,(H,28,29,33);6-7H,4-5H2,1-3H3;7,10H,4-6H2,1-3H3.

What are the key properties of 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one?

5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 1795.15 g/mol, XLogP of 15.22, 24 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1-methylpyrrolidin-2-one;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 159538618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).