5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C23H24Cl3N5OS2 — CID 23030584

About 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 23030584) has the molecular formula C23H24Cl3N5OS2 and a molecular weight of 556.97 g/mol. Its IUPAC name is 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 23030584
• Molecular Formula: C23H24Cl3N5OS2
• Molecular Weight: 556.97 g/mol
• Exact Mass: 555.05
• IUPAC Name: 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(Cl)c(Cl)c1
• InChI: InChI=1S/C23H24Cl3N5OS2/c24-15-11-18(33-13-15)19-22(31-8-6-30(7-9-31)16-4-2-1-3-5-16)34-23(28-19)29-21(32)14-10-17(25)20(26)27-12-14/h10-13,16H,1-9H2,(H,28,29,32)
• InChIKey: ZGOWFPLUBDKGAV-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.97
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 23030584) is 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(Cl)c(Cl)c1.

What is the InChIKey of 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is ZGOWFPLUBDKGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl3N5OS2/c24-15-11-18(33-13-15)19-22(31-8-6-30(7-9-31)16-4-2-1-3-5-16)34-23(28-19)29-21(32)14-10-17(25)20(26)27-12-14/h10-13,16H,1-9H2,(H,28,29,32).

What are the key properties of 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?

5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 556.97 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dichloro-N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 23030584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).